Academic

Joseph Subotnik

Chemistry · 0000-0003-2170-2020 · Princeton University

Citations received by year

Google Scholar profile

Citations received in each calendar year across this verified Scholar profile. Bars are annual counts; missing years are unknown. 2026 is an incomplete calendar year.

Publications

254 rows, 77 from the Scholar profile only, 7 need review

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2026 CISS and a Phase Space Theory of Electronic Structure APS Global Physics Summit article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			CISS and a Phase Space Theory of Electronic Structure
year scholar			2026
venue scholar			APS Global Physics Summit
kind scholar			other
first author scholar			Subotnik

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2026 Constrained CASSCF (2, 2) and Tight-binding Approach to Study Electron Transfer between a Molecule and Metal Cluster APS Global Physics Summit article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Constrained CASSCF (2, 2) and Tight-binding Approach to Study Electron Transfer between a Molecule and Metal Cluster
year scholar			2026
venue scholar			APS Global Physics Summit
kind scholar			other
first author scholar			WU

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2026 Electron transfer, diabatic couplings, and vibronic energy gaps in a phase space electronic structure framework The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Electron transfer, diabatic couplings, and vibronic energy gaps in a phase space electronic structure framework	Electron transfer, diabatic couplings, and vibronic energy gaps in a phase space electronic structure framework
year openalex	2026	2026
venue openalex	The Journal of Chemical Physics	The Journal of Chemical Physics
kind openalex	article	other
DOI openalex	10.1063/5.0325462
first author openalex	Zaidi	Zaidi

Citations

OpenAlex: 0
Scholar: 1
DOI: 10.1063/5.0325462
OpenAlex: W7161583450

Match decisions

fingerprint merged · 1.00 · Run 18

2026 How the twist of a molecule affects electron spin other CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			How the twist of a molecule affects electron spin
year scholar			2026
kind scholar			other
first author scholar			Waldeck

Citations

OpenAlex: none
Scholar: 2

Match decisions

No decision recorded; a single record.

2026 Interference-Limited Absorption in Dense Molecular Nanolayers Near Reflecting Surfaces The Journal of Physical Chemistry Letters article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title openalex		Interference Limited Absorption in Dense Molecular Nanolayers Near Reflecting SurfacesInterference-Limited Absorption in Dense Molecular Nanolayers Near Reflecting Surfaces
year openalex		20262026
venue openalex		arXiv (Cornell University)The Journal of Physical Chemistry Letters
kind openalex		working_paperarticle
DOI openalex		10.48550/arxiv.2604.0985110.1021/acs.jpclett.6c00424
preprint DOI openalex		10.48550/arxiv.2604.09851
first author openalex		ZhouZhou

Also recorded as

W7154212647 (DOI 10.48550/arxiv.2604.09851) · preprint · 2026 Interference Limited Absorption in Dense Molecular Nanolayers Near Reflecting Surfaces
W7154539639 · preprint · 2026 Interference Limited Absorption in Dense Molecular Nanolayers Near Reflecting Surfaces

Citations

OpenAlex: 0
Scholar: none
DOI: 10.1021/acs.jpclett.6c00424
OpenAlex: W7154217105

Match decisions

No decision recorded; a single record.

2026 Jankunas Dissertation Award (Finalists): A phase-space electronic structure framework to nonadiabatic dynamics and spin chemistry APS Global Physics Summit article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Jankunas Dissertation Award (Finalists): A phase-space electronic structure framework to nonadiabatic dynamics and spin chemistry
year scholar			2026
venue scholar			APS Global Physics Summit
kind scholar			other
first author scholar			Bian

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2026 Marcus theory and the condon approximation revisited i: E-shake and seam sampling Journal of Chemical Theory and Computation preprint 2025 Marcus Theory and The Condon Approximation Revisited I: E-SHAKE and Seam Sampling article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Marcus theory and the condon approximation revisited i: E-shake and seam sampling
year scholar			2026
venue scholar			Journal of Chemical Theory and Computation
kind scholar			other
first author scholar			Cofer-Shabica

Citations

OpenAlex: none
Scholar: 2

Match decisions

No decision recorded; a single record.

2026 Marcus theory and the condon approximation revisited ii: The horror of triplet energy transfer Journal of Chemical Theory and Computation article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Marcus theory and the condon approximation revisited ii: The horror of triplet energy transfer
year scholar			2026
venue scholar			Journal of Chemical Theory and Computation
kind scholar			other
first author scholar			DeRosa

Citations

OpenAlex: none
Scholar: 2

Match decisions

No decision recorded; a single record.

2026 Non-resonant Raman optical activity from phase-space electronic structure theory APL Computational Physics article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Non-resonant Raman optical activity from phase-space electronic structure theory
year scholar			2026
venue scholar			APL Computational Physics
kind scholar			other
first author scholar			Tao

Citations

OpenAlex: none
Scholar: 1

Match decisions

No decision recorded; a single record.

2026 Phase Space Electronic Structure Theory: Diatomic Lambda-Doubling, spin-rotation coupling, and macroscopic Einstein-de Haas APS Global Physics Summit article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Phase Space Electronic Structure Theory: Diatomic Lambda-Doubling, spin-rotation coupling, and macroscopic Einstein-de Haas
year scholar			2026
venue scholar			APS Global Physics Summit
kind scholar			other
first author scholar			Peng

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2026 Phase Space Electronic Structure Theory: From Diatomic Lambda-Doubling to Macroscopic Einstein–de Haas The journal of physical chemistry letters article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Phase Space Electronic Structure Theory: From Diatomic Lambda-Doubling to Macroscopic Einstein–de Haas
year scholar			2026
venue scholar			The journal of physical chemistry letters
kind scholar			other
first author scholar			Peng

Citations

OpenAlex: none
Scholar: 5

Match decisions

No decision recorded; a single record.

2026 Phonon Angular Momentum Generation by Heat Current and Rectified Vibrational Energy Transfer in Driven Chiral Molecules. APS Global Physics Summit article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Phonon Angular Momentum Generation by Heat Current and Rectified Vibrational Energy Transfer in Driven Chiral Molecules.
year scholar			2026
venue scholar			APS Global Physics Summit
kind scholar			other
first author scholar			Feng

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2026 Protein·solvent interface controls proton-coupled reactivity in cryptochrome 4a Journal of the American Chemical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	CrossRef
title cv	Protein·solvent interface controls proton-coupled reactivity in cryptochrome 4a
year cv	2026
venue crossref		Journal of the American Chemical Society
kind cv	article
DOI crossref		10.1021/jacs.6c09345
first author cv	Luo

Citations

OpenAlex: none
Scholar: none
DOI: 10.1021/jacs.6c09345

Match decisions

No decision recorded; a single record.

2026 The phase-space way to electronic structure theory and subsequently chemical dynamics Chemical Physics Reviews article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			The phase-space way to electronic structure theory and subsequently chemical dynamics
year scholar			2026
venue scholar			Chemical Physics Reviews
kind scholar			other
first author scholar			Bian

Citations

OpenAlex: none
Scholar: 17

Match decisions

No decision recorded; a single record.

2026 Vibrational angular momentum generation in thermally driven chiral systems Physical Review B article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Vibrational angular momentum generation in thermally driven chiral systems
year scholar			2026
venue scholar			Physical Review B
kind scholar			other
first author scholar			Feng

Citations

OpenAlex: none
Scholar: 1

Match decisions

No decision recorded; a single record.

2025 A basis-free phase space electronic Hamiltonian that recovers beyond Born–Oppenheimer electronic momentum and current density The Journal of Chemical Physics supplement 2025 Erratum:“A basis-free phase space electronic Hamiltonian that recovers beyond Born-Oppenh… article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			A basis-free phase space electronic Hamiltonian that recovers beyond Born–Oppenheimer electronic momentum and current density
year scholar			2025
venue scholar			The Journal of Chemical Physics
kind scholar			other
first author scholar			Tao

Citations

OpenAlex: none
Scholar: 22

Match decisions

No decision recorded; a single record.

2025 An extremely efficient algorithm for (2, 2) dynamically weighted constrained complete active space calculations The Journal of chemical physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			An extremely efficient algorithm for (2, 2) dynamically weighted constrained complete active space calculations
year scholar			2025
venue scholar			The Journal of chemical physics
kind scholar			other
first author scholar			Chen

Citations

OpenAlex: none
Scholar: 3

Match decisions

No decision recorded; a single record.

2025 A phase-space electronic Hamiltonian for molecules in a static magnetic field. I: Conservation of total pseudomomentum and angular momentum The Journal of Physical Chemistry A article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			A phase-space electronic Hamiltonian for molecules in a static magnetic field. I: Conservation of total pseudomomentum and angular momentum
year scholar			2025
venue scholar			The Journal of Physical Chemistry A
kind scholar			other
first author scholar			Bhati

Citations

OpenAlex: none
Scholar: 10

Match decisions

No decision recorded; a single record.

2025 A phase-space electronic Hamiltonian for molecules in a static magnetic field II: Quantum chemistry calculations with gauge invariant atomic orbitals The Journal of Physical Chemistry A article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			A phase-space electronic Hamiltonian for molecules in a static magnetic field II: Quantum chemistry calculations with gauge invariant atomic orbitals
year scholar			2025
venue scholar			The Journal of Physical Chemistry A
kind scholar			other
first author scholar			Bhati

Citations

OpenAlex: none
Scholar: 9

Match decisions

No decision recorded; a single record.

2025 A phase-space view of vibrational energies without the Born–Oppenheimer framework Journal of Chemical Theory and Computation article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			A phase-space view of vibrational energies without the Born–Oppenheimer framework
year scholar			2025
venue scholar			Journal of Chemical Theory and Computation
kind scholar			other
first author scholar			Bian

Citations

OpenAlex: none
Scholar: 15

Match decisions

No decision recorded; a single record.

2025 A Theory of Ultrafast Charge Transfer Relaxation with Non-Innocent Solvent Molecules Journal of Chemical Theory and Computation article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			A Theory of Ultrafast Charge Transfer Relaxation with Non-Innocent Solvent Molecules
year scholar			2025
venue scholar			Journal of Chemical Theory and Computation
kind scholar			other
first author scholar			Athavale

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2025 Chiral vibrational modes in small molecules The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title openalex		Chiral vibrational modes in small molecules
year openalex		2025
venue openalex		The Journal of Chemical Physics
kind openalex		article
DOI openalex		10.1063/5.0271584
first author openalex		Jian-yue

Also recorded as

W4416083532 · preprint · 2025 Chiral Vibrational Modes in Small Molecules

Citations

OpenAlex: 5
Scholar: 7
DOI: 10.1063/5.0271584
OpenAlex: W4411977360

Match decisions

No decision recorded; a single record.

2025 Conical intersections and electronic momentum as viewed from phase space electronic structure theory The journal of physical chemistry letters article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Conical intersections and electronic momentum as viewed from phase space electronic structure theory
year scholar			2025
venue scholar			The journal of physical chemistry letters
kind scholar			other
first author scholar			Duston

Citations

OpenAlex: none
Scholar: 12

Match decisions

No decision recorded; a single record.

2025 Constrained CASSCF: Probing Charge-Transfer and Non-Adiabatic Dynamics at Ground State Cost APS Global Physics Summit article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Constrained CASSCF: Probing Charge-Transfer and Non-Adiabatic Dynamics at Ground State Cost
year scholar			2025
venue scholar			APS Global Physics Summit
kind scholar			other
first author scholar			Qiu

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2025 Evaluating the gradients of localized diabatic state energies and couplings at minimum cost The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Evaluating the gradients of localized diabatic state energies and couplings at minimum cost
year scholar			2025
venue scholar			The Journal of Chemical Physics
kind scholar			other
first author scholar			Athavale

Citations

OpenAlex: none
Scholar: 3

Match decisions

No decision recorded; a single record.

2025 Fast methods for multisite charge transfer processes. I. Constrained, state averaged CASSCF (1, n) and CASSCF (2n− 1, n) simulations The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Fast methods for multisite charge transfer processes. I. Constrained, state averaged CASSCF (1, n) and CASSCF (2n− 1, n) simulations
year scholar			2025
venue scholar			The Journal of Chemical Physics
kind scholar			other
first author scholar			Qiu

Citations

OpenAlex: none
Scholar: 2

Match decisions

No decision recorded; a single record.

2025 Fast methods for multisite charge transfer. Processes II. Analytic nuclear gradients and nonadiabatic dynamics for cCASSCF (1, n) and cCASSCF (2n-1, n) wavefunctions The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Fast methods for multisite charge transfer. Processes II. Analytic nuclear gradients and nonadiabatic dynamics for cCASSCF (1, n) and cCASSCF (2n-1, n) wavefunctions
year scholar			2025
venue scholar			The Journal of Chemical Physics
kind scholar			other
first author scholar			Qiu

Citations

OpenAlex: none
Scholar: 1

Match decisions

No decision recorded; a single record.

2025 Multilinear Spectroscopy, Semiclassical Electrodynamics, and Energy Transfer Under Strong Illumination (Final Technical Report) Univ. of Pennsylvania, Philadelphia, PA (United States) other CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Multilinear Spectroscopy, Semiclassical Electrodynamics, and Energy Transfer Under Strong Illumination (Final Technical Report)
year scholar			2025
venue scholar			Univ. of Pennsylvania, Philadelphia, PA (United States)
kind scholar			other
first author scholar			Subotnik

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2025 Protein and solvent reorganization drives radical pair stability in avian cryptochrome 4a Journal of the American Chemical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	CrossRef
title cv	Protein and solvent reorganization drives radical pair stability in avian cryptochrome 4a
year cv	2025
venue crossref		Journal of the American Chemical Society
kind cv	article
DOI crossref		10.1021/jacs.5c15726
first author cv	Luo

Citations

OpenAlex: none
Scholar: 15
DOI: 10.1021/jacs.5c15726

Match decisions

No decision recorded; a single record.

2025 Recovering exact vibrational energies within a phase space electronic structure framework Journal of Chemical Theory and Computation article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Recovering exact vibrational energies within a phase space electronic structure framework
year scholar			2025
venue scholar			Journal of Chemical Theory and Computation
kind scholar			other
first author scholar			Wu

Citations

OpenAlex: none
Scholar: 8

Match decisions

No decision recorded; a single record.

2025 Rectification of vibrational energy transfer in driven chiral molecules The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title openalex		Rectification of vibrational energy transfer in driven chiral molecules
year openalex		2025
venue openalex		The Journal of Chemical Physics
kind openalex		article
DOI openalex		10.1063/5.0299947
first author openalex		Jian-yue

Citations

OpenAlex: 2
Scholar: 3
DOI: 10.1063/5.0299947
OpenAlex: W4417364665

Match decisions

No decision recorded; a single record.

2025 Revisiting the Discrepancy between Experimental and Theoretical Predictions of the Adiabaticity of Ti+ + CH3OH The Journal of Physical Chemistry A article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Revisiting the Discrepancy between Experimental and Theoretical Predictions of the Adiabaticity of Ti+ + CH3OH
year scholar			2025
venue scholar			The Journal of Physical Chemistry A
kind scholar			other
first author scholar			DeRosa

Citations

OpenAlex: none
Scholar: 3

Match decisions

No decision recorded; a single record.

2025 Symmetry breaking as predicted by a phase space Hamiltonian with a spin Coriolis potential The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Symmetry breaking as predicted by a phase space Hamiltonian with a spin Coriolis potential
year scholar			2025
venue scholar			The Journal of Chemical Physics
kind scholar			other
first author scholar			Bradbury

Citations

OpenAlex: none
Scholar: 14

Match decisions

No decision recorded; a single record.

2025 The role of quantum vibronic effects in the spin polarization of charge transport through molecular junctions The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			The role of quantum vibronic effects in the spin polarization of charge transport through molecular junctions
year scholar			2025
venue scholar			The Journal of Chemical Physics
kind scholar			other
first author scholar			Rudge

Citations

OpenAlex: none
Scholar: 10

Match decisions

No decision recorded; a single record.

2025 Unveiling the Dance of Molecules: Rovibrational Dynamics of Molecules under Intense Illumination at Complex Plasmonic Interfaces Journal of Chemical Theory and Computation article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title openalex		Unveiling the Dance of Molecules: Ro-Vibrational Dynamics of Molecules under Intense Illumination at Complex Plasmonic InterfacesUnveiling the Dance of Molecules: Rovibrational Dynamics of Molecules under Intense Illumination at Complex Plasmonic Interfaces
year openalex		20242025
venue openalex		ChemRxivJournal of Chemical Theory and Computation
kind openalex		working_paperarticle
DOI openalex		10.26434/chemrxiv-2024-7q5jg10.1021/acs.jctc.4c01652
preprint DOI openalex		10.26434/chemrxiv-2024-7q5jg
first author openalex		SukharevSukharev

Also recorded as

W4405075874 (DOI 10.26434/chemrxiv-2024-7q5jg) · preprint · 2024 Unveiling the Dance of Molecules: Ro-Vibrational Dynamics of Molecules under Intense Illumination at Complex Plasmonic Interfaces
W4405080414 (DOI 10.48550/arxiv.2412.02873) · preprint · 2024 Unveiling the Dance of Molecules: Ro-Vibrational Dynamics of Molecules under Intense Illumination at Complex Plasmonic Interfaces

Citations

OpenAlex: 11
Scholar: 10
DOI: 10.1021/acs.jctc.4c01652
OpenAlex: W4407702171

Match decisions

No decision recorded; a single record.

2024 A Constrained CASSCF (2, 2) Approach to Study Electron Transfer between a Molecule and Metal Cluster The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 302–306 · CV · published

302177. X Wu, J Chen, J Subotnik303“A Constrained CASSCF (2, 2) Approach to Study Electron Transfer between a Molecule and304Metal Cluster”305J. Phys. Chem. A 128, 9538-9550 (2024)306https://doi.org/10.1021/acs.jpca.4c04843

Institution fields

Peer reviewed: yes
First author: Wu
Co-authors: X Wu; J Chen; J Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A Constrained CASSCF (2, 2) Approach to Study Electron Transfer between a Molecule and Metal Cluster	A constrained CASSCF (2, 2) approach to study electron transfer between a molecule and metal cluster
year cv	2024	2024
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI cv	10.1021/acs.jpca.4c04843
first author cv	Wu	Wu

Citations

OpenAlex: none
Scholar: 5
DOI: 10.1021/acs.jpca.4c04843

Match decisions

fingerprint merged · 1.00 · Run 18

2024 A fast and smooth one-electron approach for investigating charge transfer states and D1–D0 crossings for systems with odd numbers of electrons The Journal of Chemical Physics article journal CV OA GS

CV span

lines 320–324 · CV · published

320174. T Qiu, X Bian, Z Tao, J.E. Subotnik321“A fast and smooth one-electron approach for investigating charge transfer states and D1–D0322crossings for systems with odd numbers of electrons”323J. Chem. Phys. 160, 214115 (2024)324https://doi.org/10.1063/5.0209036

Institution fields

Peer reviewed: yes
First author: Qiu
Co-authors: T Qiu; X Bian; Z Tao; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A fast and smooth one-electron approach for investigating charge transfer states and D1–D0 crossings for systems with odd numbers of electrons	A fast and smooth one-electron approach for investigating charge transfer states and D1–D0 crossings for systems with odd numbers of electrons
year cv	2024	2024
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0209036
first author cv	Qiu	Qiu

Citations

OpenAlex: none
Scholar: 9
DOI: 10.1063/5.0209036

Match decisions

fingerprint merged · 1.00 · Run 18

2024 An Efficient Algorithm for Constrained CASSCF (1, 2) and CASSCF (3, 2) Simulations as Relevant to Electron and Hole Transfer Problems Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 308–312 · CV · published

308176. T Qiu, JE Subotnik309“An Efficient Algorithm for Constrained CASSCF (1, 2) and CASSCF (3, 2) Simulations as310Relevant to Electron and Hole Transfer Problems”311J. Chem. Theory Comput. 20, 8960-8969 (2024)312https://doi.org/10.1021/acs.jctc.4c00937

Institution fields

Peer reviewed: yes
First author: Qiu
Co-authors: T Qiu; JE Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	An Efficient Algorithm for Constrained CASSCF (1, 2) and CASSCF (3, 2) Simulations as Relevant to Electron and Hole Transfer Problems	An efficient algorithm for constrained CASSCF (1, 2) and CASSCF (3, 2) simulations as relevant to electron and hole transfer problems
year cv	2024	2024
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI cv	10.1021/acs.jctc.4c00937
first author cv	Qiu	Qiu

Citations

OpenAlex: none
Scholar: 5
DOI: 10.1021/acs.jctc.4c00937

Match decisions

fingerprint merged · 1.00 · Run 18

2024 An electronic phase-space Hamiltonian approach for electronic current density and vibrational circular dichroism The Journal of Chemical Physics article journal CV OA GS needs review

CV span

lines 296–300 · CV · published

296178. Z Tao, T Duston, Z Pei, Y Shao, J Rawlinson, R Littlejohn, JE Subotnik297“An electronic phase-space Hamiltonian approach for electronic current density and298vibrational circular dichroism”299J. Chem. Phys. 161, 204107 (2024)300https://doi.org/10.1063/5.0233618

Institution fields

Peer reviewed: yes
First author: Tao
Co-authors: Z Tao; T Duston; Z Pei; Y Shao; J Rawlinson; R Littlejohn; JE Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	An electronic phase-space Hamiltonian approach for electronic current density and vibrational circular dichroism	An electronic phase-space Hamiltonian approach for electronic current density and vibrational circular dichroism
year cv	2024	2024
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0233618
first author cv	Tao	Tao

Citations

OpenAlex: none
Scholar: 13
DOI: 10.1063/5.0233618

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
fingerprint merged · 1.00 · Run 18

2024 Angular momentum transfer between a molecular system and a continuous circularly polarized light field within a semiclassical Born–Oppenheimer surface hopping framework Journal of Chemical Theory and Computation article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Angular momentum transfer between a molecular system and a continuous circularly polarized light field within a semiclassical Born–Oppenheimer surface hopping framework
year scholar			2024
venue scholar			Journal of Chemical Theory and Computation
kind scholar			other
first author scholar			Bian

Citations

OpenAlex: none
Scholar: 4

Match decisions

No decision recorded; a single record.

2024 A Phase Space Approach to Vibrational Circular Dichroism Journal of Chemical Theory and Computation article journal CV OA GS needs review

CV span

lines 326–330 · CV · published

326173. T. Duston, Z. Tao, X. Bian, M. Bhati, J. Rawlinson, R. G. Littlejohn, Z. Pei, Y. Shao, and327J. E. Subotnik328“A Phase Space Approach to Vibrational Circular Dichroism”329J. Chem. Theory Comput. 20, 7904–7921 (2024)330https://doi.org/10.1021/acs.jctc.4c00662

Institution fields

Peer reviewed: yes
First author: Duston
Co-authors: T. Duston; Z. Tao; X. Bian; M. Bhati; J. Rawlinson; R. G. Littlejohn; Z. Pei; Y. Shao; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A Phase Space Approach to Vibrational Circular Dichroism	A phase space approach to vibrational circular dichroism
year cv	2024	2024
venue crossref	J. Chem. Theory Comput.	arXiv preprint arXiv:2405.12404	Journal of Chemical Theory and Computation
kind cv	article	other
DOI cv	10.1021/acs.jctc.4c00662
first author cv	Duston	Duston

Citations

OpenAlex: none
Scholar: 4
DOI: 10.1021/acs.jctc.4c00662

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
fingerprint merged · 1.00 · Run 18

2024 A phase-space electronic Hamiltonian for vibrational circular dichroism Journal of Chemical Theory and Computation article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			A phase-space electronic Hamiltonian for vibrational circular dichroism
year scholar			2024
venue scholar			Journal of Chemical Theory and Computation
kind scholar			other
first author scholar			Duston

Citations

OpenAlex: none
Scholar: 17

Match decisions

No decision recorded; a single record.

2024 A semiclassical non-adiabatic phase-space approach to molecular translations and rotations: Surface hopping with electronic inertial effects The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			A semiclassical non-adiabatic phase-space approach to molecular translations and rotations: Surface hopping with electronic inertial effects
year scholar			2024
venue scholar			The Journal of Chemical Physics
kind scholar			other
first author scholar			Bian

Citations

OpenAlex: none
Scholar: 15

Match decisions

No decision recorded; a single record.

2024 A Simple One-Electron Expression for Electron Rotational Factors The Journal of Chemical Physics article journal CV OA GS

CV span

lines 353–356 · CV · published

353168. T. Qiu, M. Bhati, Z. Tao, X. Bian, J. Rawlinson, R.G. Littlejohn, J.E. Subotnik354“A Simple One-Electron Expression for Electron Rotational Factors”355J. Chem. Phys., 160, 124102 (2024)356https://doi.org/10.1063/5.0192083

Institution fields

Peer reviewed: yes
First author: Qiu
Co-authors: T. Qiu; M. Bhati; Z. Tao; X. Bian; J. Rawlinson; R.G. Littlejohn; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A Simple One-Electron Expression for Electron Rotational Factors	A simple one-electron expression for electron rotational factors
year cv	2024	2024
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0192083
first author cv	Qiu	Qiu

Citations

OpenAlex: none
Scholar: 19
DOI: 10.1063/5.0192083

Match decisions

fingerprint merged · 1.00 · Run 18

2024 Diagonalizing the Born-Oppenheimer Hamiltonian via Moyal Perturbation Theory, Nonadiabatic Corrections and Translational Degrees of Freedom The Journal of Chemical Physics article journal CV OA GS

CV span

lines 363–367 · CV · published

363166. R. Littlejohn, J. Rawlinson, J.E. Subotnik364"Diagonalizing the Born-Oppenheimer Hamiltonian via Moyal Perturbation Theory,365Nonadiabatic Corrections and Translational Degrees of Freedom"366J. Chem. Phys. 160, 114103 (2024)367arXiv preprint arXiv:2312.12601

Institution fields

Peer reviewed: yes
First author: Littlejohn
Co-authors: R. Littlejohn; J. Rawlinson; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Diagonalizing the Born-Oppenheimer Hamiltonian via Moyal Perturbation Theory, Nonadiabatic Corrections and Translational Degrees of Freedom	Diagonalizing the Born–Oppenheimer Hamiltonian via Moyal perturbation theory, nonadiabatic corrections, and translational degrees of freedom
year cv	2024	2024
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/5.0192465
first author cv	Littlejohn	Littlejohn

Citations

OpenAlex: none
Scholar: 18
DOI: 10.1063/5.0192465

Match decisions

fingerprint merged · 1.00 · Run 18

2024 Foreword to the special issue chiral induced spin selectivity The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Foreword to the special issue chiral induced spin selectivity
year scholar			2024
venue scholar			The Journal of Chemical Physics
kind scholar			other
first author scholar			Naaman

Citations

OpenAlex: none
Scholar: 6

Match decisions

No decision recorded; a single record.

2024 Linear and angular momentum conservation in surface hopping methods The Journal of Chemical Physics article journal CV OA GS

CV span

lines 358–361 · CV · published

358167. Y. Wu, J. Rawlinson, R.G. Littlejohn, J.E. Subotnik359Linear and angular momentum conservation in surface hopping methods360J. Chem. Phys., 160, 024119 (2024)361https://doi.org/10.1063/5.0179599

Institution fields

Peer reviewed: yes
First author: Wu
Co-authors: Y. Wu; J. Rawlinson; R.G. Littlejohn; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Linear and angular momentum conservation in surface hopping methods	Linear and angular momentum conservation in surface hopping methods
year cv	2024	2024
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0179599
first author cv	Wu	Wu

Citations

OpenAlex: none
Scholar: 19
DOI: 10.1063/5.0179599

Match decisions

fingerprint merged · 1.00 · Run 18

2024 Nature of Polariton Transport in a Fabry-Perot Cavity Physical Review A article journal CV OA GS

CV span

lines 375–379 · CV · published

375164. Z. Zhou, H.T. Chen, M. Sukharev, J.E. Subotnik, A. Nitzan376Nature of Polariton Transport in a Fabry-Perot Cavity377Physical Review A, 109, 033717 (2024)378arXiv:2310.11228379https://doi.org/10.1103/PhysRevA.109.033717

Institution fields

Peer reviewed: yes
First author: Zhou
Co-authors: Z. Zhou; H.T. Chen; M. Sukharev; J.E. Subotnik; A. Nitzan
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Nature of Polariton Transport in a Fabry-Perot Cavity	On the nature of polariton transport in a Fabry-Perot CavityNature of polariton transport in a Fabry-Perot cavity	Nature of polariton transport in a Fabry-Perot cavity
year cv	2024	20232024	2024
venue crossref	Physical Review A	arXiv (Cornell University)Physical Review A	Physical Review A
kind cv	article	working_paperarticle	other
DOI cv	10.1103/physreva.109.033717	10.48550/arxiv.2310.1122810.1103/physreva.109.033717
preprint DOI openalex		10.48550/arxiv.2310.11228
first author openalex	Zhou	ZhouZhou	Zhou

Citations

OpenAlex: 21
Scholar: 32
DOI: 10.1103/physreva.109.033717
OpenAlex: W4392951827

Match decisions

fingerprint merged · 1.00 · Run 18

2024 On the nature of two-photon transitions for a Collection of Molecules in a Fabry-Perot Cavity The Journal of Chemical Physics article journal CV OA GS

CV span

lines 369–373 · CV · published

369165. Z. Zhou, H.T. Chen, M. Sukharev, J.E. Subotnik, A. Nitzan370On the nature of two-photon transitions for a Collection of Molecules in a Fabry-Perot371Cavity372J. Chem. Phys., 160, 094107 (2024)373https://doi.org/10.1063/5.0180910

Institution fields

Peer reviewed: yes
First author: Zhou
Co-authors: Z. Zhou; H.T. Chen; M. Sukharev; J.E. Subotnik; A. Nitzan
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	On the nature of two-photon transitions for a Collection of Molecules in a Fabry-Perot Cavity	On the nature of two-photon transitions for a Collection of Molecules in a Fabry-Perot CavityOn the nature of two-photon transitions for a collection of molecules in a Fabry–Perot cavity	On the nature of two-photon transitions for a collection of molecules in a Fabry–Perot cavity
year cv	2024	20232024	2024
venue crossref	J. Chem. Phys.	arXiv (Cornell University)The Journal of Chemical Physics	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	working_paperarticle	other
DOI cv	10.1063/5.0180910	10.48550/arxiv.2310.0873010.1063/5.0180910
preprint DOI openalex		10.48550/arxiv.2310.08730
first author openalex	Zhou	ZhouZhou	Zhou

Citations

OpenAlex: 4
Scholar: 5
DOI: 10.1063/5.0180910
OpenAlex: W4392355502

Match decisions

fingerprint merged · 1.00 · Run 18

2024 Practical Phase-Space Electronic Hamiltonians for Ab Initio Dynamics The Journal of Chemical Physics article journal CV OA GS

CV span

lines 348–351 · CV · published

348169. Z. Tao, T. Qiu, M. Bhati, X. Bian, T. Duston, J. Rawlinson, R.G. Littlejohn, J.E. Subotnik349"Practical Phase-Space Electronic Hamiltonians for Ab Initio Dynamics"350J. Chem. Phys., 160, 124101 (2024)351https://doi.org/10.1063/5.0192084

Institution fields

Peer reviewed: yes
First author: Tao
Co-authors: Z. Tao; T. Qiu; M. Bhati; X. Bian; T. Duston; J. Rawlinson; R.G. Littlejohn; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Practical Phase-Space Electronic Hamiltonians for Ab Initio Dynamics	Practical phase-space electronic Hamiltonians for ab initio dynamics
year cv	2024	2024
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0192084
first author cv	Tao	Tao

Citations

OpenAlex: none
Scholar: 24
DOI: 10.1063/5.0192084

Match decisions

fingerprint merged · 1.00 · Run 18

2024 Spin-Dependent Stereochemistry: A Nonadiabatic Quantum Dynamics Case Study of S + H2 → SH + H Reaction The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 332–336 · CV · published

332172. X. Bian and J. E. Subotnik333"Spin-Dependent Stereochemistry: A Nonadiabatic Quantum Dynamics Case Study of S +334H2 → SH + H Reaction"335J. Phys. Chem. Lett. (in press, 2024)336https://doi.org/10.1021/acs.jpclett.3c03344

Institution fields

Peer reviewed: yes
First author: Bian
Co-authors: X. Bian; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Spin-Dependent Stereochemistry: A Nonadiabatic Quantum Dynamics Case Study of S + H2 → SH + H Reaction	Spin-Dependent Stereochemistry: A Nonadiabatic Quantum Dynamics Case Study of S + H2 → SH + H Reaction
year crossref	2024	2024
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	article	other
DOI cv	10.1021/acs.jpclett.3c03344
first author cv	Bian	Bian

Citations

OpenAlex: none
Scholar: 3
DOI: 10.1021/acs.jpclett.3c03344

Match decisions

fingerprint merged · 1.00 · Run 18

2024 Total angular momentum conservation in Ehrenfest dynamics with a truncated basis of adiabatic states The Journal of Chemical Physics article journal CV OA GS

CV span

lines 342–346 · CV · published

342170. Z Tao, X Bian, Y Wu, J Rawlinson, RG Littlejohn, JE Subotnik343"Total angular momentum conservation in Ehrenfest dynamics with a truncated basis of344adiabatic states"345J. Chem. Phys. 160, 054104 (2024)346https://doi.org/10.1063/5.0177778

Institution fields

Peer reviewed: yes
First author: Tao
Co-authors: Z Tao; X Bian; Y Wu; J Rawlinson; RG Littlejohn; JE Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Total angular momentum conservation in Ehrenfest dynamics with a truncated basis of adiabatic states	Total angular momentum conservation in Ehrenfest dynamics with a truncated basis of adiabatic states
year cv	2024	2024
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0177778
first author cv	Tao	Tao

Citations

OpenAlex: none
Scholar: 19
DOI: 10.1063/5.0177778

Match decisions

fingerprint merged · 1.00 · Run 18

2023 A Dynamically Weighted Constrained Complete Active Space Ansatz for Constructing Multiple Potential Energy Surfaces within the Anderson-Holstein Model Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 424–428 · CV · published

424155. J. Chen and J. E. Subotnik425"A Dynamically Weighted Constrained Complete Active Space Ansatz for Constructing426Multiple Potential Energy Surfaces within the Anderson-Holstein Model"427J. Chem. Theory Comput. 19, 4925-4951(2023)428https://doi.org/10.1021/acs.jctc.3c00327

Institution fields

Peer reviewed: yes
First author: Chen
Co-authors: J. Chen; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A Dynamically Weighted Constrained Complete Active Space Ansatz for Constructing Multiple Potential Energy Surfaces within the Anderson-Holstein Model	A dynamically weighted constrained complete active space ansatz for constructing multiple potential energy surfaces within the Anderson-Holstein model
year cv	2023	2023
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI cv	10.1021/acs.jctc.3c00327
first author cv	Chen	Chen

Citations

OpenAlex: none
Scholar: 7
DOI: 10.1021/acs.jctc.3c00327

Match decisions

fingerprint merged · 1.00 · Run 18

2023 A Practical Approach to Wave Function Propagation, Hopping Probabilities, and Time Steps in Surface Hopping Calculations Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 436–440 · CV · published

436153. T. Qiu, C. Climent, and J. E. Subotnik437"A Practical Approach to Wave Function Propagation, Hopping Probabilities, and Time438Steps in Surface Hopping Calculations"439J. Chem. Theory Comput., 19, 2744–2757 (2023)440https://doi.org/10.1021/acs.jctc.3c00126

Institution fields

Peer reviewed: yes
First author: Qiu
Co-authors: T. Qiu; C. Climent; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A Practical Approach to Wave Function Propagation, Hopping Probabilities, and Time Steps in Surface Hopping Calculations	A practical approach to wave function propagation, hopping probabilities, and time steps in surface hopping calculations
year cv	2023	2023
venue crossref	J. Chem. Theory Comput.	Journal of chemical theory and computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI cv	10.1021/acs.jctc.3c00126
first author cv	Qiu	Qiu

Citations

OpenAlex: none
Scholar: 11
DOI: 10.1021/acs.jctc.3c00126

Match decisions

fingerprint merged · 1.00 · Run 18

2023 A quantum-classical Liouville formalism in a preconditioned basis and its connection with phase-space surface hopping The Journal of Chemical Physics article journal CV OA GS

CV span

lines 458–462 · CV · published

458149. Y. Wu, J.E. Subotnik459"A quantum-classical Liouville formalism in a preconditioned basis and its connection with460phase-space surface hopping"461J. Chem. Phys., 158, 024115 (2023)462https://doi.org/10.1063/5.0124835

Institution fields

Peer reviewed: yes
First author: Wu
Co-authors: Y. Wu; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A quantum-classical Liouville formalism in a preconditioned basis and its connection with phase-space surface hopping	A quantum-classical Liouville formalism in a preconditioned basis and its connection with phase-space surface hopping
year cv	2023	2023
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0124835
first author cv	Wu	Wu

Citations

OpenAlex: none
Scholar: 8
DOI: 10.1063/5.0124835

Match decisions

fingerprint merged · 1.00 · Run 18

2023 Chiral molecules to transmit electron spin Science article journal CV OA GS

CV span

lines 386–389 · CV · published

386162. J.E. Subotnik387"Chiral molecules to transmit electron spin"388Science 382, 160-161. (2023)389https://doi.org/10.1126/science.adk5634

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Chiral molecules to transmit electron spin	Chiral molecules to transmit electron spin
year cv	2023	2023
venue crossref	Science	Science
kind cv	article	other
DOI cv	10.1126/science.adk5634
first author cv	Subotnik	Subotnik

Citations

OpenAlex: none
Scholar: 21
DOI: 10.1126/science.adk5634

Match decisions

fingerprint merged · 1.00 · Run 18

2023 Dissociation slowdown by collective optical response under strong coupling conditions The Journal of Chemical Physics article journal CV OA GS

CV span

lines 453–456 · CV · published

453150. M Sukharev, JE Subotnik, A Nitzan454"Dissociation slowdown by collective optical response under strong coupling conditions"455J. Chem. Phys., 158, 084104 (2023)456https://doi.org/10.1063/5.0133972

Institution fields

Peer reviewed: yes
First author: Sukharev
Co-authors: M Sukharev; JE Subotnik; A Nitzan
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Dissociation slowdown by collective optical response under strong coupling conditionsDissociation slowdown by collective optical response under strong coupling conditions	Dissociation slowdown by collective optical response under strong coupling conditionsDissociation slowdown by collective optical response under strong coupling conditions
year cv	20232023	20222023
venue crossref	J. Chem. Phys.	arXiv (Cornell University)The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	articlearticle	working_paperarticle
DOI cv	10.1063/5.013397210.1063/5.0133972	10.48550/arxiv.2210.1094310.1063/5.0133972
preprint DOI openalex		10.48550/arxiv.2210.10943
first author openalex	Sukharev	SukharevSukharev

Also recorded as

W4307367704 (DOI 10.26434/chemrxiv-2022-g3472) · preprint · 2022

Citations

OpenAlex: 16
Scholar: 20
DOI: 10.1063/5.0133972
OpenAlex: W4318952657

Match decisions

fingerprint merged · 1.00 · Run 18

2023 Interplay between disorder, local relaxation, and collective behavior for an ensemble of emitters outside vs inside a cavity Physical Review A article journal CV OA GS

CV span

lines 413–417 · CV · published

413157. Z. Zhou, H.T. Chen, J.E. Subotnik, A. Nitzan414"Interplay between disorder, local relaxation, and collective behavior for an ensemble of415emitters outside versus inside a cavity"416Phys. Rev. A 108, 023708 (2023)417https://doi.org/10.1103/PhysRevA.108.023708

Institution fields

Peer reviewed: yes
First author: Zhou
Co-authors: Z. Zhou; H.T. Chen; J.E. Subotnik; A. Nitzan
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Interplay between disorder, local relaxation, and collective behavior for an ensemble of emitters outside versus inside a cavityInterplay between disorder, local relaxation, and collective behavior for an ensemble of emitters outside vs inside a cavity	The Interplay between Disorder, Local Relaxation and Collective Behaviors for an ensemble of emitters outside vs inside cavityInterplay between disorder, local relaxation, and collective behavior for an ensemble of emitters outside versus inside a cavity
year cv	20232023	20222023
venue crossref	Phys. Rev. A	arXiv (Cornell University)Physical Review A	Physical Review A
kind cv	articlearticle	working_paperarticle
DOI cv	10.1103/physreva.108.02370810.1103/physreva.108.023708	10.48550/arxiv.2211.1632510.1103/physreva.108.023708
preprint DOI openalex		10.48550/arxiv.2211.16325
first author openalex	Zhou	ZhouZhou

Citations

OpenAlex: 22
Scholar: 32
DOI: 10.1103/physreva.108.023708
OpenAlex: W4385709119

Match decisions

fingerprint merged · 1.00 · Run 18

2023 Nature of Hops, Coordinates, and Detailed Balance for Nonadiabatic Simulations in the Condensed Phase The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 396–400 · CV · published

396160. MFSJ Menger, Q. Ou, Y. Shao, S. Faraji, J.E. Subotnik, D.V. Cofer-Shabica397"Nature of Hops, Coordinates, and Detailed Balance for Nonadiabatic Simulations in the398Condensed Phase"399J. Phys. Chem. A 127, 8427-8436 (2023)400https://doi.org/10.1021/acs.jpca.3c03546

Institution fields

Peer reviewed: yes
First author: Menger
Co-authors: MFSJ Menger; Q. Ou; Y. Shao; S. Faraji; J.E. Subotnik; D.V. Cofer-Shabica
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Nature of Hops, Coordinates, and Detailed Balance for Nonadiabatic Simulations in the Condensed Phase	Nature of hops, coordinates, and detailed balance for nonadiabatic simulations in the condensed phase
year cv	2023	2023
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI cv	10.1021/acs.jpca.3c03546
first author cv	Menger	Menger

Citations

OpenAlex: none
Scholar: 7
DOI: 10.1021/acs.jpca.3c03546

Match decisions

fingerprint merged · 1.00 · Run 18

2023 Nonadiabatic Dynamics in a Continuous Circularly Polarized Laser Field with Floquet Phase-Space Surface Hopping Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 501–505 · CV · published

501141. Z. Zhou, Y. Wu, X. Bian, J.E. Subotnik502"Nonadiabatic Dynamics in a Continuous Circularly Polarized Laser Field with Floquet503Phase-Space Surface Hopping"504J. Chem. Theory Comput. 19, 718−732 (2023)505https://doi.org/10.1021/acs.jctc.2c00948

Institution fields

Peer reviewed: yes
First author: Zhou
Co-authors: Z. Zhou; Y. Wu; X. Bian; J.E. Subotnik
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Nonadiabatic Dynamics in a Continuous Circularly Polarized Laser Field with Floquet Phase-Space Surface Hopping	Nonadiabatic dynamics in a continuous circularly polarized laser field with floquet phase-space surface hopping
year cv	2023	2023
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI cv	10.1021/acs.jctc.2c00948
first author cv	Zhou	Zhou

Citations

OpenAlex: none
Scholar: 11
DOI: 10.1021/acs.jctc.2c00948

Match decisions

fingerprint merged · 1.00 · Run 18

2023 Nonadiabatic Potential Energy Surfaces for a Molecule on a Surface as Found by Constrained Complete Active Space Theory The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 430–434 · CV · published

430154. J. Chen and J. E. Subotnik431"Nonadiabatic Potential Energy Surfaces for a Molecule on a Surface as Found by432Constrained Complete Active Space Theory"433J. Phys. Chem. Lett. 14, 5665–5673 (2023)434https://doi.org/10.1021/acs.jpclett.3c00777

Institution fields

Peer reviewed: yes
First author: Chen
Co-authors: J. Chen; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Nonadiabatic Potential Energy Surfaces for a Molecule on a Surface as Found by Constrained Complete Active Space Theory	Nonadiabatic potential energy surfaces for a molecule on a surface as found by constrained complete active space theory
year cv	2023	2023
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	article	other
DOI cv	10.1021/acs.jpclett.3c00777
first author cv	Chen	Chen

Citations

OpenAlex: none
Scholar: 9
DOI: 10.1021/acs.jpclett.3c00777

Match decisions

fingerprint merged · 1.00 · Run 18

2023 On the circularly polarized luminescence of individual triplet sublevels The Journal of Chemical Physics article journal CV OA GS

CV span

lines 391–394 · CV · published

391161. C. Climent, E.J. Schelter, D.H. Waldeck, S.A. Vinogradov, J.E. Subotnik392"On the circularly polarized luminescence of individual triplet sublevels"393J. Chem. Phys. 159, 134304 (2023)394https://doi.org/10.1063/5.0159932

Institution fields

Peer reviewed: yes
First author: Climent
Co-authors: C. Climent; E.J. Schelter; D.H. Waldeck; S.A. Vinogradov; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	On the circularly polarized luminescence of individual triplet sublevels	On the circularly polarized luminescence of individual triplet sublevels
year cv	2023	2023
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0159932
first author cv	Climent	Climent

Citations

OpenAlex: none
Scholar: 3
DOI: 10.1063/5.0159932

Match decisions

fingerprint merged · 1.00 · Run 18

2023 Representation and conservation of angular momentum in the Born–Oppenheimer theory of polyatomic molecules The Journal of Chemical Physics article journal CV OA GS

CV span

lines 447–451 · CV · published

447151. R Littlejohn, J Rawlinson, JE Subotnik448"Representation and conservation of angular momentum in the Born–Oppenheimer theory of449polyatomic molecules"450J. Chem. Phys., 158, 104302 (2023)451https://doi.org/10.1063/5.0143809

Institution fields

Peer reviewed: yes
First author: Littlejohn
Co-authors: R Littlejohn; J Rawlinson; JE Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Representation and conservation of angular momentum in the Born–Oppenheimer theory of polyatomic molecules	Representation and conservation of angular momentum in the Born–Oppenheimer theory of polyatomic molecules
year cv	2023	2023
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0143809
first author cv	Littlejohn	Littlejohn

Citations

OpenAlex: none
Scholar: 32
DOI: 10.1063/5.0143809

Match decisions

fingerprint merged · 1.00 · Run 18

2023 Spin-Based Chiral Separations and the Importance of Molecule–Solvent Interactions The Journal of Physical Chemistry C article journal CV OA GS

CV span

lines 419–422 · CV · published

419156. Y. Lu, T. Qiu, B.P. Bloom, J.E. Subotnik, D.H. Waldeck420"Spin-Based Chiral Separations and the Importance of Molecule–Solvent Interactions"421J. Phys. Chem. C 127 , 14155-14162 (2023)422https://doi.org/10.1021/acs.jpcc.3c01159

Institution fields

Peer reviewed: yes
First author: Lu
Co-authors: Y. Lu; T. Qiu; B.P. Bloom; J.E. Subotnik; D.H. Waldeck
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Spin-Based Chiral Separations and the Importance of Molecule–Solvent Interactions	Spin-based chiral separations and the importance of molecule–solvent interactions
year cv	2023	2023
venue crossref	J. Phys. Chem. C	The Journal of Physical Chemistry. C, Nanomaterials and Interfaces	The Journal of Physical Chemistry C
kind cv	article	other
DOI cv	10.1021/acs.jpcc.3c01159
first author cv	Lu	Lu

Citations

OpenAlex: none
Scholar: 10
DOI: 10.1021/acs.jpcc.3c01159

Match decisions

fingerprint merged · 1.00 · Run 18

2023 Spin–Orbit versus Hyperfine Coupling-Mediated Intersystem Crossing in a Radical Pair The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 442–445 · CV · published

442152. SR May, C Climent, Z Tao, SA Vinogradov, JE Subotnik443"Spin–Orbit versus Hyperfine Coupling-Mediated Intersystem Crossing in a Radical Pair"444J. Phys. Chem. A, 127, 3591–3597 (2023)445https://doi.org/10.1021/acs.jpca.3c00294

Institution fields

Peer reviewed: yes
First author: May
Co-authors: SR May; C Climent; Z Tao; SA Vinogradov; JE Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Spin–Orbit versus Hyperfine Coupling-Mediated Intersystem Crossing in a Radical Pair	Spin–orbit versus hyperfine coupling-mediated intersystem crossing in a radical pair
year cv	2023	2023
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI cv	10.1021/acs.jpca.3c00294
first author cv	May	May

Citations

OpenAlex: none
Scholar: 16
DOI: 10.1021/acs.jpca.3c00294

Match decisions

fingerprint merged · 1.00 · Run 18

2023 Strong Coupling, Disordered Environments, and Chemistry Under Illumination APS March Meeting Abstracts 2023, W17 article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Strong Coupling, Disordered Environments, and Chemistry Under Illumination
year scholar			2023
venue scholar			APS March Meeting Abstracts
kind scholar			other
first author scholar			Subotnik

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2023 Surface hopping, electron translation factors, electron rotation factors, momentum conservation, and size consistency The Journal of Chemical Physics article journal CV OA GS

CV span

lines 407–411 · CV · published

407158. V. Athavale, X. Bian, Z. Tao, Y. Wu, T. Qiu, J Rawlinson, RG Littlejohn, J. E. Subotnik408"Surface hopping, electron translation factors, electron rotation factors, momentum409conservation, and size consistency"410J. Chem. Phys. 159, 114120. (2023)411https://doi.org/10.1063/5.0160965

Institution fields

Peer reviewed: yes
First author: Athavale
Co-authors: V. Athavale; X. Bian; Z. Tao; Y. Wu; T. Qiu; J Rawlinson; RG Littlejohn; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Surface hopping, electron translation factors, electron rotation factors, momentum conservation, and size consistency	Surface hopping, electron translation factors, electron rotation factors, momentum conservation, and size consistency
year cv	2023	2023
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0160965
first author cv	Athavale	Athavale

Citations

OpenAlex: none
Scholar: 23
DOI: 10.1063/5.0160965

Match decisions

fingerprint merged · 1.00 · Run 18

2023 To guess or not to guess excited state amplitudes during optimization and dynamics The Journal of Chemical Physics article journal CV OA GS

CV span

lines 402–405 · CV · published

402159. D.V .Cofer-Shabica, V. Athavale, and J.E. Subotnik403"To guess or not to guess excited state amplitudes during optimization and dynamics"404J. Chem. Phys. 159, 121101 (2023)405https://doi.org/10.1063/5.0163571

Institution fields

Peer reviewed: yes
First author: Cofer-Shabica
Co-authors: D.V .Cofer-Shabica; V. Athavale; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	To guess or not to guess excited state amplitudes during optimization and dynamics	To guess or not to guess excited state amplitudes during optimization and dynamics
year cv	2023	2023
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0163571
first author cv	Cofer-Shabica	Cofer-Shabica

Citations

OpenAlex: none
Scholar: 4
DOI: 10.1063/5.0163571

Match decisions

fingerprint merged · 1.00 · Run 18

2023 Total angular momentum conservation in ab initio Born-Oppenheimer molecular dynamics Physical Review B article journal CV OA GS

CV span

lines 381–384 · CV · published

381163. X. Bian, Z. Tao, Y. Wu, J. Rawlinson, R. G. Littlejohn, and J. E. Subotnik382"Total angular momentum conservation in ab initio Born-Oppenheimer molecular dynamics"383Phys. Rev. B 108, L220304 (2023)384https://doi.org/10.1103/PhysRevB.108.L220304

Institution fields

Peer reviewed: yes
First author: Bian
Co-authors: X. Bian; Z. Tao; Y. Wu; J. Rawlinson; R. G. Littlejohn; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Total angular momentum conservation in ab initio Born-Oppenheimer molecular dynamics	Total Angular Momentum Conservation in Ab Initio Born-Oppenheimer Molecular Dynamics
year cv	2023	2023
venue crossref	Phys. Rev. B	Physical Review B	Physical Review B
kind cv	article	other
DOI cv	10.1103/physrevb.108.l220304
first author cv	Bian	Bian

Citations

OpenAlex: none
Scholar: 41
DOI: 10.1103/physrevb.108.l220304

Match decisions

fingerprint merged · 1.00 · Run 18

2023 Use of QM/MM Surface Hopping Simulations to Understand Thermally Activated Rare- Event Nonadiabatic Transitions in the Condensed Phase Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 314–318 · CV · published

314175. AJ Coffman, Z Jin, J Chen, JE Subotnik, DV Cofer-Shabica315“Use of QM/MM Surface Hopping Simulations to Understand Thermally Activated Rare-316Event Nonadiabatic Transitions in the Condensed Phase”317Journal of Chemical Theory and Computation, 19, 7136-7150 (2023)318https://dx.doi.org/10.1021/acs.jctc.3c00276

Institution fields

Peer reviewed: yes
First author: Coffman
Co-authors: AJ Coffman; Z Jin; J Chen; JE Subotnik; DV Cofer-Shabica
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Use of QM/MM Surface Hopping Simulations to Understand Thermally Activated Rare- Event Nonadiabatic Transitions in the Condensed Phase	Use of QM/MM surface hopping simulations to understand thermally activated rare-event nonadiabatic transitions in the condensed phase
year cv	2023	2023
venue crossref	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI cv	10.1021/acs.jctc.3c00276
first author cv	Coffman	Coffman

Citations

OpenAlex: none
Scholar: 13
DOI: 10.1021/acs.jctc.3c00276

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Active Spaces and Non-Orthogonal Configuration Interaction Approaches for Investigating Molecules on Metal Surfaces Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 489–493 · CV · published

489143. J. Chen, W. Dou, J.E. Subotnik490"Active Spaces and Non-Orthogonal Configuration Interaction Approaches for Investigating491Molecules on Metal Surfaces"492J. Chem. Theory Comput. 18 (12), 7321-7335 (2022)493https://doi.org/10.1021/acs.jctc.2c00740

Institution fields

Peer reviewed: yes
First author: Chen
Co-authors: J. Chen; W. Dou; J.E. Subotnik
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Active Spaces and Non-Orthogonal Configuration Interaction Approaches for Investigating Molecules on Metal Surfaces	Active spaces and non-orthogonal configuration interaction approaches for investigating molecules on metal surfaces
year cv	2022	2022
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI cv	10.1021/acs.jctc.2c00740
first author cv	Chen	Chen

Citations

OpenAlex: none
Scholar: 7
DOI: 10.1021/acs.jctc.2c00740

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Analytical gradients and derivative couplings for the TDDFT-1D method The Journal of Chemical Physics article journal CV OA GS

CV span

lines 464–467 · CV · published

464148. V. Athavale, H.H. Teh, Y. Shao, J.E. Subotnik465"Analytical gradients and derivative couplings for the TDDFT-1D method"466J. Chem. Phys., 157, 244110 (2022)467https://doi.org/10.1063/5.0130404

Institution fields

Peer reviewed: yes
First author: Athavale
Co-authors: V. Athavale; H.H. Teh; Y. Shao; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Analytical gradients and derivative couplings for the TDDFT-1D method	Analytical gradients and derivative couplings for the TDDFT-1D method
year cv	2022	2022
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0130404
first author cv	Athavale	Athavale

Citations

OpenAlex: none
Scholar: 7
DOI: 10.1063/5.0130404

Match decisions

fingerprint merged · 1.00 · Run 18

2022 A phase-space semiclassical approach for modeling nonadiabatic nuclear dynamics with electronic spin The Journal of Chemical Physics article journal CV OA GS

CV span

lines 525–529 · CV · published

525137. Y. Wu, X. Bian, J.I. Rawlinson, R.G. Littlejohn, J.E. Subotnik526"A phase-space semiclassical approach for modeling nonadiabatic nuclear dynamics with527electronic spin"528J. Chem. Phys., 157, 011101 (2022)529https://doi.org/10.1063/5.0093345

Institution fields

Peer reviewed: yes
First author: Wu
Co-authors: Y. Wu; X. Bian; J.I. Rawlinson; R.G. Littlejohn; J.E. Subotnik
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A phase-space semiclassical approach for modeling nonadiabatic nuclear dynamics with electronic spin	A phase-space semiclassical approach for modeling nonadiabatic nuclear dynamics with electronic spin
year cv	2022	2022
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0093345
first author cv	Wu	Wu

Citations

OpenAlex: none
Scholar: 31
DOI: 10.1063/5.0093345

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Effect of Duschinskii Rotations on Spin-Dependent Electron Transfer Dynamics The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 469–472 · CV · published

469147. S.S. Chandran, Y. Wu, J.E. Subotnik470"Effect of Duschinskii Rotations on Spin-Dependent Electron Transfer Dynamics"471J. Phys. Chem. A, 126, 9535–9552 (2022)472https://doi.org/10.1021/acs.jpca.2c06149

Institution fields

Peer reviewed: yes
First author: Chandran
Co-authors: S.S. Chandran; Y. Wu; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Effect of Duschinskii Rotations on Spin-Dependent Electron Transfer Dynamics	Effect of Duschinskii rotations on spin-dependent electron transfer dynamics
year cv	2022	2022
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI cv	10.1021/acs.jpca.2c06149
first author cv	Chandran	Chandran

Citations

OpenAlex: none
Scholar: 9
DOI: 10.1021/acs.jpca.2c06149

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Electron transfer and spin–orbit coupling: Can nuclear motion lead to spin selective rates? The Journal of Chemical Physics article journal CV OA GS

CV span

lines 531–535 · CV · published

531136. S.S. Chandran, Y. Wu, H.H. Teh, D.H. Waldeck, J.E. Subotnik532"Electron transfer and spin–orbit coupling: Can nuclear motion lead to spin selective rates?"533J. Chem. Phys., 156, 174113. (2022)534https://doi.org/10.10nsf63/5.0086554535

Institution fields

Peer reviewed: yes
First author: Chandran
Co-authors: S.S. Chandran; Y. Wu; H.H. Teh; D.H. Waldeck; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Electron transfer and spin–orbit coupling: Can nuclear motion lead to spin selective rates?	Electron transfer and spin–orbit coupling: Can nuclear motion lead to spin selective rates?
year cv	2022	2022
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/5.0086554
first author cv	Chandran	Chandran

Citations

OpenAlex: none
Scholar: 43
DOI: 10.1063/5.0086554

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Energy-efficient pathway for selectively exciting solute molecules to high vibrational states via solvent vibration-polariton pumping Nature Communications article journal CV OA GS

CV span

lines 513–517 · CV · published

513139. T.E. Li, A. Nitzan, J.E. Subotnik514"Energy-efficient pathway for selectively exciting solute molecules to high vibrational states515via solvent vibration-polariton pumping"516Nature Communications 13, 1-8 (2022)517https://doi.org/10.1038/s41467-022-31703-8

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: T.E. Li; A. Nitzan; J.E. Subotnik
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Energy-efficient pathway for selectively exciting solute molecules to high vibrational states via solvent vibration-polariton pumping	Energy-efficient pathway for selectively exciting solute molecules to high vibrational states via solvent vibration-polariton pumpingEnergy-efficient pathway for selectively exciting solute molecules to high vibrational states via solvent vibration-polariton pumping	Energy-efficient pathway for selectively exciting solute molecules to high vibrational states via solvent vibration-polariton pumping
year cv	2022	20222021	2022
venue crossref	Nature Communications	Nature CommunicationsRePEc: Research Papers in Economics	Nature communications
kind cv	article	articlearticle	other
DOI cv	10.1038/s41467-022-31703-8	10.1038/s41467-022-31703-810.48550/arxiv.2104.15121
preprint DOI openalex		10.48550/arxiv.2104.15121
first author openalex	Li	LiLi	Li

Citations

OpenAlex: 41
Scholar: 53
OpenAlex with related records: 42
DOI: 10.1038/s41467-022-31703-8
OpenAlex: W3158091490

Match decisions

fingerprint merged · 1.00 · Run 18

2022 INAQS, a Generic Interface for Nonadiabatic QM/MM Dynamics: Design, Implementation, and Validation for GROMACS/Q-CHEM simulations Journal of Chemical Theory and Computation preprint 2022 INAQS, a generic interface for non-adiabatic QM/MM dynamics: Design, implementation, and …preprint 2022 INAQS, a generic interface for non-adiabatic QM/MM dynamics: Design, implementation, and … article journal CV OA GS

CV span

lines 507–511 · CV · published

507140. D. V. Cofer-Shabica, M. F. S. J. Menger, Q. Ou, Y. Shao, J. E. Subotnik, and S. Faraji508"INAQS, a Generic Interface for Nonadiabatic QM/MM Dynamics: Design, Implementation,509and Validation for GROMACS/Q-CHEM simulations"510J. Chem. Theory Comput. 18, 4601–4614 (2022)511https://doi.org/10.1021/acs.jctc.2c00204

Institution fields

Peer reviewed: yes
First author: Cofer-Shabica
Co-authors: D. V. Cofer-Shabica; M. F. S. J. Menger; Q. Ou; Y. Shao; J. E. Subotnik; S. Faraji
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	INAQS, a Generic Interface for Nonadiabatic QM/MM Dynamics: Design, Implementation, and Validation for GROMACS/Q-CHEM simulations	INAQS, a generic interface for non-adiabatic QM/MM dynamics: Design, implementation, and validation for GROMACS/Q-CHEM simulations
year cv	2022	2022
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI cv	10.1021/acs.jctc.2c00204
first author cv	Cofer-Shabica	Cofer-Shabica

Citations

OpenAlex: none
Scholar: 35
DOI: 10.1021/acs.jctc.2c00204

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Incorporating Berry Force Effects into the Fewest Switches Surface-Hopping Algorithm: Intersystem Crossing and the Case of Electronic Degeneracy Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 561–565 · CV · published

561131. X Bian, Y Wu, HH Teh, JE Subotnik562"Incorporating Berry Force Effects into the Fewest Switches Surface-Hopping Algorithm:563Intersystem Crossing and the Case of Electronic Degeneracy"564J. Chem. Theory and Computation 18, 2075–2090 (2022)565https://doi.org/10.1021/acs.jctc.1c01103

Institution fields

Peer reviewed: yes
First author: Bian
Co-authors: X Bian; Y Wu; HH Teh; JE Subotnik
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Incorporating Berry Force Effects into the Fewest Switches Surface-Hopping Algorithm: Intersystem Crossing and the Case of Electronic Degeneracy	Incorporating Berry force effects into the fewest switches surface-hopping algorithm: Intersystem crossing and the case of electronic degeneracy
year cv	2022	2022
venue crossref	J. Chem. Theory and Computation	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI cv	10.1021/acs.jctc.1c01103
first author cv	Bian	Bian

Citations

OpenAlex: none
Scholar: 20
DOI: 10.1021/acs.jctc.1c01103

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Interplay between disorder and collective coherent response: Superradiance and spectral motional narrowing in the time domain Physical Review A article journal CV OA GS

CV span

lines 495–499 · CV · published

495142. H.T. Chen, Z. Zhou, M. Sukharev, J.E. Subotnik, A. Nitzan496"Interplay between disorder and collective coherent response: Superradiance and spectral497motional narrowing in the time domain"498Phys. Rev. A, 106 (5), 053703 (2022)499https://doi.org/10.1103/PhysRevA.106.053703

Institution fields

Peer reviewed: yes
First author: Chen
Co-authors: H.T. Chen; Z. Zhou; M. Sukharev; J.E. Subotnik; A. Nitzan
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Interplay between disorder and collective coherent response: Superradiance and spectral motional narrowing in the time domain	Interplay Between Disorder and Collective Coherent Response: Superradiance and Spectral Motional Narrowing in the Time DomainInterplay between disorder and collective coherent response: Superradiance and spectral motional narrowing in the time domain	Interplay between disorder and collective coherent response: Superradiance and spectral motional narrowing in the time domain
year cv	2022	20222022	2022
venue crossref	Phys. Rev. A	arXiv (Cornell University)Physical Review A	Physical Review A	Physical Review A
kind cv	article	working_paperarticle	other
DOI cv	10.1103/physreva.106.053703	10.48550/arxiv.2204.0262210.1103/physreva.106.053703
preprint DOI openalex		10.48550/arxiv.2204.02622
first author openalex	Chen	ChenChen	Chen

Citations

OpenAlex: 29
Scholar: 44
DOI: 10.1103/physreva.106.053703
OpenAlex: W4307988777

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Methods to Calculate Electronic Excited-State Dynamics for Molecules on Large Metal Clusters with Many States: Ensuring Fast Overlap Calculations and a Robust Choice of Phase Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 547–553 · CV · published

547133. H-Ta Chen, J. Chen, D.V. Cofer-Shabica, Z. Zhou, V. Athavale, G. Medders, M. F. S. J.548Menger, J. E. Subotnik, and Z. Jin549"Methods to Calculate Electronic Excited-State Dynamics for Molecules on Large Metal550Clusters with Many States: Ensuring Fast Overlap Calculations and a Robust Choice of551Phase"552J. Chem. Theory Comput. 18, 3296–3307 (2022)553https://doi.org/10.1021/acs.jctc.1c01304

Institution fields

Peer reviewed: yes
First author: Chen
Co-authors: H-Ta Chen; J. Chen; D.V. Cofer-Shabica; Z. Zhou; V. Athavale; G. Medders; M. F. S. J. Menger; J. E. Subotnik; Z. Jin
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Methods to Calculate Electronic Excited-State Dynamics for Molecules on Large Metal Clusters with Many States: Ensuring Fast Overlap Calculations and a Robust Choice of Phase	Methods to calculate electronic excited-state dynamics for molecules on large metal clusters with many states: Ensuring fast overlap calculations and a robust choice of phase
year cv	2022	2022
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI cv	10.1021/acs.jctc.1c01304
first author cv	Chen	Chen

Citations

OpenAlex: none
Scholar: 14
DOI: 10.1021/acs.jctc.1c01304

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Modeling Spin-Dependent Nonadiabatic Dynamics with Electronic Degeneracy: A Phase-Space Surface-Hopping Method The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 519–523 · CV · published

519138. X. Bian, Y. Wu, J. Rawlinson, R. G. Littlejohn, and J. E. Subotnik520"Modeling Spin-Dependent Nonadiabatic Dynamics with Electronic Degeneracy: A Phase-521Space Surface-Hopping Method"522J. Phys. Chem. Lett., 13, 7398–7404 (2022)523https://doi.org/10.1021/acs.jpclett.2c01802

Institution fields

Peer reviewed: yes
First author: Bian
Co-authors: X. Bian; Y. Wu; J. Rawlinson; R. G. Littlejohn; J. E. Subotnik
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Modeling Spin-Dependent Nonadiabatic Dynamics with Electronic Degeneracy: A Phase-Space Surface-Hopping Method	Modeling spin-dependent nonadiabatic dynamics with electronic degeneracy: A phase-space surface-hopping method
year cv	2022	2022
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	article	other
DOI cv	10.1021/acs.jpclett.2c01802
first author cv	Bian	Bian

Citations

OpenAlex: none
Scholar: 30
DOI: 10.1021/acs.jpclett.2c01802

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Molecular Polaritonics: Chemical Dynamics Under Strong Light–Matter Coupling Annual Review of Physical Chemistry article journal CV OA GS

CV span

lines 567–570 · CV · published

567130. TE Li, B Cui, JE Subotnik, A Nitzan568"Molecular Polaritonics: Chemical Dynamics Under Strong Light–Matter Coupling"569Ann. Rev. Phys. Chem. 73 , 43 (2022)570https://doi.org/10.1146/annurev-physchem-090519-042621

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: TE Li; B Cui; JE Subotnik; A Nitzan
Subfield: other
Method: review
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Molecular Polaritonics: Chemical Dynamics Under Strong Light–Matter Coupling	Molecular Polaritonics: Chemical Dynamics Under Strong Light–Matter Coupling	Molecular polaritonics: Chemical dynamics under strong light–matter coupling
year cv	2022	2021	2022
venue crossref	Ann. Rev. Phys. Chem.	Annual Review of Physical Chemistry	Annual review of physical chemistry	Annual Review of Physical Chemistry
kind cv	article	review	other
DOI cv	10.1146/annurev-physchem-090519-042621	10.1146/annurev-physchem-090519-042621
first author openalex	Li	Li	Li

Citations

OpenAlex: 203
Scholar: 257
DOI: 10.1146/annurev-physchem-090519-042621
OpenAlex: W4200316547

Match decisions

fingerprint merged · 1.00 · Run 18

2022 On the Meaning of Berry Force For Unrestricted Systems Treated With Mean-Field Electronic Structure The Journal of Chemical Physics supplement 2023 Erratum:“On the meaning of Berry force for unrestricted systems treated with mean-field e… article journal CV OA GS

CV span

lines 541–545 · CV · published

541134. X. Bian, T. Qiu, J. Chen, and J. E. Subotnik542"On the Meaning of Berry Force For Unrestricted Systems Treated With Mean-Field543Electronic Structure"544J. Chem. Phys. 156, 234107 (2022)545https://doi.org/10.1063/5.0093092

Institution fields

Peer reviewed: yes
First author: Bian
Co-authors: X. Bian; T. Qiu; J. Chen; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	On the Meaning of Berry Force For Unrestricted Systems Treated With Mean-Field Electronic Structure	On the meaning of Berry force for unrestricted systems treated with mean-field electronic structure
year cv	2022	2022
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0093092
first author cv	Bian	Bian

Citations

OpenAlex: none
Scholar: 14
DOI: 10.1063/5.0093092

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Polariton relaxation under vibrational strong coupling: Comparing cavity molecular dynamics simulations against Fermi’s golden rule rate The Journal of Chemical Physics article journal CV OA GS

CV span

lines 555–559 · CV · published

555132. T.E Li, A Nitzan, JE Subotnik556"Polariton relaxation under vibrational strong coupling: Comparing cavity molecular557dynamics simulations against Fermi’s golden rule rate"558J. Chem. Phys. 156, 134106 (2022)559https://doi.org/10.1063/5.0079784

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: T.E Li; A Nitzan; JE Subotnik
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Polariton relaxation under vibrational strong coupling: Comparing cavity molecular dynamics simulations against Fermi’s golden rule ratePolariton relaxation under vibrational strong coupling: Comparing cavity molecular dynamics simulations against Fermi’s golden rule rate	Polariton relaxation under vibrational strong coupling: Comparing cavity molecular dynamics simulations against Fermi’s golden rule rate
year cv	20222022	2022
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	articlearticle	article
DOI cv	10.1063/5.007978410.1063/5.0079784	10.1063/5.0079784
first author openalex	Li	Li

Citations

OpenAlex: 46
Scholar: 50
DOI: 10.1063/5.0079784
OpenAlex: W3215210088

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Quantum Simulations of Vibrational Strong Coupling via Path Integrals The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 536–539 · CV · published

536135. T.E. Li, A. Nitzan, S. Hammes-Schiffer, J.E. Subotnik537"Quantum Simulations of Vibrational Strong Coupling via Path Integrals"538J. Phys. Chem. Lett. 13, 3890-3895 (2022)539https://doi.org/10.1021/acs.jpclett.2c00613

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: T.E. Li; A. Nitzan; S. Hammes-Schiffer; J.E. Subotnik
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Quantum Simulations of Vibrational Strong Coupling via Path IntegralsQuantum Simulations of Vibrational Strong Coupling via Path Integrals	Quantum Simulations of Vibrational Strong Coupling via Path Integrals
year cv	20222022	2022
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	articlearticle	article
DOI cv	10.1021/acs.jpclett.2c0061310.1021/acs.jpclett.2c00613	10.1021/acs.jpclett.2c00613
first author openalex	Li	Li

Citations

OpenAlex: 31
Scholar: 32
DOI: 10.1021/acs.jpclett.2c00613
OpenAlex: W4226212711

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Spin Manipulation through A Molecular Junction Based on Nuclear Berry Curvature Effect APS March Meeting Abstracts 2022, W50 article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Spin Manipulation through A Molecular Junction Based on Nuclear Berry Curvature Effect
year scholar			2022
venue scholar			APS March Meeting Abstracts
kind scholar			other
first author scholar			Teh

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2022 Spin polarization through a molecular junction based on nuclear Berry curvature effects Phys. Rev. B article CV OA GS needs review

CV span

lines 474–477 · CV · unverified · published

474146. H.H. Teh, W. Dou, J.E. Subotnik475"Spin polarization through a molecular junction based on nuclear Berry curvature effects"476Phys. Rev. B, 106, 184302477https://doi.org/10.1103/PhysRevB.106.184302

Institution fields

Peer reviewed: yes
First author: Teh
Co-authors: H.H. Teh; W. Dou; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title scholar	Spin polarization through a molecular junction based on nuclear Berry curvature effects	Spin polarization through a molecular junction based on nuclear Berry curvature effects
year scholar		2022
venue cv	Phys. Rev. B	Physical Review B
kind cv	article	other
DOI cv	10.1103/physrevb.106.184302
first author cv	Teh	Teh

Citations

OpenAlex: none
Scholar: 58
DOI: 10.1103/physrevb.106.184302

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Symmetric Post-Transition State Bifurcation Reactions with Berry Pseudomagnetic Fields The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 479–482 · CV · published

479145. Z. Tao, T. Qiu, J.E. Subotnik480"Symmetric Post-Transition State Bifurcation Reactions with Berry Pseudomagnetic Fields"481J. Phys. Chem. Lett., 14, 770-778 (2022)482https://doi.org/10.1021/acs.jpclett.2c02668

Institution fields

Peer reviewed: yes
First author: Tao
Co-authors: Z. Tao; T. Qiu; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Symmetric Post-Transition State Bifurcation Reactions with Berry Pseudomagnetic Fields	Symmetric post-transition state bifurcation reactions with Berry pseudomagnetic fields
year cv	2022	2023
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	article	other
DOI cv	10.1021/acs.jpclett.2c02668
first author cv	Tao	Tao

Citations

OpenAlex: none
Scholar: 20
DOI: 10.1021/acs.jpclett.2c02668

Match decisions

fingerprint merged · 1.00 · Run 18

2022 The parallel-transported (quasi)-diabatic basis The Journal of Chemical Physics article journal CV OA GS

CV span

lines 484–487 · CV · published

484144. R. Littlejohn, J. Rawlinson, J.E. Subotnik485"The parallel-transported (quasi)-diabatic basis"486J. Chem. Phys., 157 (18), 184303 (2022)487https://doi.org/10.1063/5.0122781

Institution fields

Peer reviewed: yes
First author: Littlejohn
Co-authors: R. Littlejohn; J. Rawlinson; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	The parallel-transported (quasi)-diabatic basis	The parallel-transported (quasi)-diabatic basis
year cv	2022	2022
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0122781
first author cv	Littlejohn	Littlejohn

Citations

OpenAlex: none
Scholar: 7
DOI: 10.1063/5.0122781

Match decisions

fingerprint merged · 1.00 · Run 18

2021 A grid-free approach for simulating sweep and cyclic voltammetry The Journal of Chemical Physics article journal CV OA GS

CV span

lines 600–603 · CV · published

600124. A.J. Coffman, J. Lu, J.E. Subotnik601"A grid-free approach for simulating sweep and cyclic voltammetry"602J.Chem. Phys. 154, 161101 (2021)603http://doi.org/10.1063/5.0044156

Institution fields

Peer reviewed: yes
First author: Coffman
Co-authors: A.J. Coffman; J. Lu; J.E. Subotnik
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A grid-free approach for simulating sweep and cyclic voltammetry	A grid-free approach for simulating sweep and cyclic voltammetry
year cv	2021	2021
venue crossref	J.Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0044156
first author cv	Coffman	Coffman

Citations

OpenAlex: none
Scholar: 4
DOI: 10.1063/5.0044156

Match decisions

fingerprint merged · 1.00 · Run 18

2021 Antisymmetric Berry frictional force at equilibrium in the presence of spin-orbit coupling Physical Review B article journal CV OA GS

CV span

lines 572–575 · CV · published

572129. HH Teh, W Dou, JE Subotnik573Antisymmetric Berry frictional force at equilibrium in the presence of spin-orbit coupling574Phys. Rev. B 104, L201409 (2021)575https://doi.org/10.1103/PhysRevB.104.L201409

Institution fields

Peer reviewed: yes
First author: Teh
Co-authors: HH Teh; W Dou; JE Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Antisymmetric Berry frictional force at equilibrium in the presence of spin-orbit coupling	Antisymmetric Berry frictional force at equilibrium in the presence of spin-orbit coupling
year cv	2021	2021
venue crossref	Phys. Rev. B	Physical Review B	Physical Review B
kind cv	article	other
DOI cv	10.1103/physrevb.104.l201409
first author cv	Teh	Teh

Citations

OpenAlex: none
Scholar: 24
DOI: 10.1103/physrevb.104.l201409

Match decisions

fingerprint merged · 1.00 · Run 18

2021 Atomistic simulation of vibrational strong light-matter interactions Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title openalex		Atomistic simulation of vibrational strong light-matter interactions
year openalex		2021
venue openalex		Bulletin of the American Physical Society
kind openalex		article
first author openalex		Li

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W3129564776

Match decisions

No decision recorded; a single record.

2021 Bob Cave Memorial The Journal of Physical Chemistry A article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Bob Cave Memorial
year scholar			2021
venue scholar			The Journal of Physical Chemistry A
kind scholar			other
first author scholar			Savin

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2021 Cavity molecular dynamics simulations of vibrational polariton-enhanced molecular nonlinear absorption The Journal of Chemical Physics article journal CV OA GS

CV span

lines 611–615 · CV · published

611122. T.E. Li, A Nitzan, J.E. Subotnik612"Cavity molecular dynamics simulations of vibrational polariton-enhanced molecular613nonlinear absorption"614J.Chem. Phys. 154, 094124 (2021)615http://doi.org/10.1063/5.0037623

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: T.E. Li; A Nitzan; J.E. Subotnik
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Cavity molecular dynamics simulations of vibrational polariton-enhanced molecular nonlinear absorptionCavity molecular dynamics simulations of vibrational polariton-enhanced molecular nonlinear absorption
year cv	20212021
venue crossref	J.Chem. Phys.	The Journal of Chemical Physics
kind cv	articlearticle
DOI cv	10.1063/5.003762310.1063/5.0037623
first author cv	LiLi

Citations

OpenAlex: none
Scholar: 82
DOI: 10.1063/5.0037623

Match decisions

fingerprint merged · 1.00 · Run 18

2021 Collective vibrational strong coupling effects on molecular vibrational relaxation and energy transfer: Numerical insights via cavity molecular dynamics simulations Angewandte Chemie article journal CV OA GS

CV span

lines 594–598 · CV · published

594125. T.E. Li, A. Nitzan, J.E. Subotnik595"Collective vibrational strong coupling effects on molecular vibrational relaxation and596energy transfer: Numerical insights via cavity molecular dynamics simulations"597Angewandte Chemie, 60, 15533–15540 (2021)598https://doi.org/10.1002/ange.202103920

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: T.E. Li; A. Nitzan; J.E. Subotnik
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Collective vibrational strong coupling effects on molecular vibrational relaxation and energy transfer: Numerical insights via cavity molecular dynamics simulations	Collective vibrational strong coupling effects on molecular vibrational relaxation and energy transfer: Numerical insights via cavity molecular dynamics simulations
year cv	2021	2021
venue crossref	Angewandte Chemie	Angewandte Chemie
kind cv	article	other
DOI cv	10.1002/ange.20210392010.1002/anie.202103920
first author cv	Li	Li

Also recorded as

W4237850150 (DOI 10.1002/ange.202103920) · same title · 2021 Collective Vibrational Strong Coupling Effects on Molecular Vibrational Relaxation and Energy Transfer: Numerical Insights via Cavity Molecular Dynamics Simulations**

Citations

OpenAlex: 38
Scholar: 137
DOI: 10.1002/anie.202103920

Match decisions

fingerprint merged · 1.00 · Run 18

2021 Electronic spin separation induced by nuclear motion near conical intersections Nature Communications article journal CV OA GS

CV span

lines 617–620 · CV · published

617121. Y. Wu, J.E. Subotnik618"Electronic spin separation induced by nuclear motion near conical intersections"619Nature Communications 12, 1-7 (2021)620https://doi.org/10.1038/s41467-020-20831-8

Institution fields

Peer reviewed: yes
First author: Wu
Co-authors: Y. Wu; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Electronic spin separation induced by nuclear motion near conical intersections	Electronic spin separation induced by nuclear motion near conical intersections
year cv	2021	2021
venue crossref	Nature Communications	Nature communications
kind cv	article	other
DOI cv	10.1038/s41467-020-20831-8
first author cv	Wu	Wu

Citations

OpenAlex: none
Scholar: 88
DOI: 10.1038/s41467-020-20831-8

Match decisions

fingerprint merged · 1.00 · Run 18

2021 Electronic Structure for Multielectronic Molecules Near a Metal Surface The Journal of Physical Chemistry C article journal CV OA GS

CV span

lines 628–631 · CV · published

628119. J. Chen, Z. Jin, W. Dou, J. E. Subotnik629"Electronic Structure for Multielectronic Molecules Near a Metal Surface"630J. Phys. Chem. C 125, 2884–2899 (2021)631https://doi.org/10.1021/acs.jpcc.0c08750

Institution fields

Peer reviewed: yes
First author: Chen
Co-authors: J. Chen; Z. Jin; W. Dou; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Electronic Structure for Multielectronic Molecules Near a Metal Surface	Electronic structure for multielectronic molecules near a metal surface
year cv	2021	2021
venue crossref	J. Phys. Chem. C	The Journal of Physical Chemistry C	The Journal of Physical Chemistry C
kind cv	article	other
DOI cv	10.1021/acs.jpcc.0c08750
first author cv	Chen	Chen

Citations

OpenAlex: none
Scholar: 10
DOI: 10.1021/acs.jpcc.0c08750

Match decisions

fingerprint merged · 1.00 · Run 18

2021 Modeling nonadiabatic dynamics with degenerate electronic states, intersystem crossing, and spin separation: A key goal for chemical physics The Journal of Chemical Physics article journal CV OA GS

CV span

lines 605–609 · CV · published

605123. X. Bian, Y. Wu, H.H. Teh, Z. Zhou, H.T. Chen, J.E. Subotnik606"Modeling nonadiabatic dynamics with degenerate electronic states, intersystem crossing,607and spin separation: A key goal for chemical physics"608J.Chem. Phys. 154, 110901 (2021)609http://doi.org/10.1063/5.0039371

Institution fields

Peer reviewed: yes
First author: Bian
Co-authors: X. Bian; Y. Wu; H.H. Teh; Z. Zhou; H.T. Chen; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Modeling nonadiabatic dynamics with degenerate electronic states, intersystem crossing, and spin separation: A key goal for chemical physics	Modeling nonadiabatic dynamics with degenerate electronic states, intersystem crossing, and spin separation: A key goal for chemical physics
year cv	2021	2021
venue crossref	J.Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0039371
first author cv	Bian	Bian

Citations

OpenAlex: none
Scholar: 70
DOI: 10.1063/5.0039371

Match decisions

fingerprint merged · 1.00 · Run 18

2021 Nonadiabatic dynamics at metal surfaces: fewest switches surface hopping with electronic relaxation Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 633–637 · CV · published

633118. Z. Jin, J.E. Subotnik634"Nonadiabatic dynamics at metal surfaces: fewest switches surface hopping with electronic635relaxation"636J. Chem. Theory Comput. 17, 614–626 (2021)637https://doi.org/10.1021/acs.jctc.0c00997

Institution fields

Peer reviewed: yes
First author: Jin
Co-authors: Z. Jin; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Nonadiabatic dynamics at metal surfaces: fewest switches surface hopping with electronic relaxation	Nonadiabatic dynamics at metal surfaces: fewest switches surface hopping with electronic relaxation
year cv	2021	2021
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI cv	10.1021/acs.jctc.0c00997
first author cv	Jin	Jin

Citations

OpenAlex: none
Scholar: 25
DOI: 10.1021/acs.jctc.0c00997

Match decisions

fingerprint merged · 1.00 · Run 18

2021 On the inclusion of one double within CIS and TDDFT The Journal of Chemical Physics article journal CV OA GS

CV span

lines 577–580 · CV · published

577128. V. Athavale, H.H. Teh, J.E. Subotnik578"On the inclusion of one double within CIS and TDDFT579J. Chem. Phys. 155, 154105 (2021)580https://doi.org/10.1063/5.0064269

Institution fields

Peer reviewed: yes
First author: Athavale
Co-authors: V. Athavale; H.H. Teh; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	On the inclusion of one double within CIS and TDDFT	On the inclusion of one double within CIS and TDDFT
year cv	2021	2021
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0064269
first author cv	Athavale	Athavale

Citations

OpenAlex: none
Scholar: 22
DOI: 10.1063/5.0064269

Match decisions

fingerprint merged · 1.00 · Run 18

2021 Semiclassical description of nuclear dynamics moving through complex-valued single avoided crossings of two electronic states The Journal of Chemical Physics article journal CV OA GS

CV span

lines 588–592 · CV · published

588126. Y Wu, J.E. Subotnik.589"Semiclassical description of nuclear dynamics moving through complex-valued single590avoided crossings of two electronic states"591J. Chem. Phys. 154, 234101 (2021)592http://doi.org/10.1063/5.0054014

Institution fields

Peer reviewed: yes
First author: Wu
Co-authors: Y Wu; J.E. Subotnik.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Semiclassical description of nuclear dynamics moving through complex-valued single avoided crossings of two electronic states	Semiclassical description of nuclear dynamics moving through complex-valued single avoided crossings of two electronic states
year cv	2021	2021
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0054014
first author cv	Wu	Wu

Citations

OpenAlex: none
Scholar: 25
DOI: 10.1063/5.0054014

Match decisions

fingerprint merged · 1.00 · Run 18

2021 Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package The Journal of Chemical Physics article journal CV OA GS

CV span

lines 582–586 · CV · published

582127. E Epifanovsky et al,583"Software for the frontiers of quantum chemistry: An overview of developments in the584Q-Chem 5 package"585J. Chem. Phys. 155, 084801 (2021)586https://doi.org/10.1063/5.0055522

Institution fields

Peer reviewed: yes
First author: Epifanovsky
Co-authors: E Epifanovsky et al
Subfield: other
Method: review
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 packageSoftware for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package	Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package	Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
year cv	20212021	2021	2021
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	articlearticle	article	other
DOI cv	10.1063/5.0055522	10.1063/5.0055522
first author openalex	Epifanovsky	Epifanovsky	Epifanovsky

Citations

OpenAlex: 1414
Scholar: 1577
DOI: 10.1063/5.0055522
OpenAlex: W3193988690

Match decisions

fingerprint merged · 1.00 · Run 18

2020 A “backtracking” correction for the fewest switches surface hopping algorithm The Journal of Chemical Physics article journal CV OA GS

CV span

lines 639–642 · CV · published

639117. G. Miao, X. Bian, Z. Zhou, J. E. Subotnik640"A “backtracking” correction for the fewest switches surface hopping algorithm"641J. Chem. Phys. 153, 111101 (2020)642https://doi.org/10.1063/5.0022436

Institution fields

Peer reviewed: yes
First author: Miao
Co-authors: G. Miao; X. Bian; Z. Zhou; J. E. Subotnik
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A “backtracking” correction for the fewest switches surface hopping algorithm	A “backtracking” correction for the fewest switches surface hopping algorithm
year cv	2020	2020
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0022436
first author cv	Miao	Miao

Citations

OpenAlex: none
Scholar: 8
DOI: 10.1063/5.0022436

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Analytic gradients and derivative couplings for configuration interaction with all single excitations and one double excitation—En route to nonadiabatic dynamics The Journal of Chemical Physics article journal CV OA GS

CV span

lines 622–626 · CV · published

622120. H.H. Teh, J.E. Subotnik623"Analytic gradients and derivative couplings for configuration interaction with all single624excitations and one double excitation—En route to nonadiabatic dynamics"625J.Chem. Phys. 153, 184106 (2020)626https://doi.org/10.1063/5.0018441

Institution fields

Peer reviewed: yes
First author: Teh
Co-authors: H.H. Teh; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Analytic gradients and derivative couplings for configuration interaction with all single excitations and one double excitation—En route to nonadiabatic dynamics	Analytic gradients and derivative couplings for configuration interaction with all single excitations and one double excitation—En route to nonadiabatic dynamics
year cv	2020	2020
venue crossref	J.Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0018441
first author cv	Teh	Teh

Citations

OpenAlex: none
Scholar: 7
DOI: 10.1063/5.0018441

Match decisions

gemini merged · 0.95 · Run 18 The CV record and Google Scholar record share the exact same title, journal, year, and authors for the configuration interaction paper.

2020 A Robust and Unified Solution for Choosing the Phases of Adiabatic States as a Function of Geometry: Extending Parallel Transport Concepts to the Cases of Trivial and Near-Trivial Crossings Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 694–699 · CV · published

694107. Z. Zhou, Z. Jin, T. Qiu, A. M. Rappe, and J. E. Subotnik,695“A Robust and Unified Solution for Choosing the Phases of Adiabatic States as a Function of696Geometry: Extending Parallel Transport Concepts to the Cases of Trivial and Near-Trivial697Crossings"698JCTC, 16, 835-846, (2020)699https://doi.org/10.1021/acs.jctc.9b00952

Institution fields

Peer reviewed: yes
First author: Zhou
Co-authors: Z. Zhou; Z. Jin; T. Qiu; A. M. Rappe; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A Robust and Unified Solution for Choosing the Phases of Adiabatic States as a Function of Geometry: Extending Parallel Transport Concepts to the Cases of Trivial and Near-Trivial Crossings	A robust and unified solution for choosing the phases of adiabatic states as a function of geometry: extending parallel transport concepts to the cases of trivial and near …
year cv	2020	2020
venue crossref	JCTC	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI cv	10.1021/acs.jctc.9b00952
first author cv	Zhou	Zhou

Citations

OpenAlex: none
Scholar: 28
DOI: 10.1021/acs.jctc.9b00952

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Cavity Molecular Dynamics Simulations of Liquid Water under Vibrational Ultrastrong Coupling Proceedings of the National Academy of Sciences article journal CV OA GS

CV span

lines 651–655 · CV · published

651115. T.E. Li, J.E. Subotnik, A. Nitzan652"Cavity molecular dynamics simulations of liquid water under vibrational ultrastrong653coupling"654Proceedings of the National Academy of Sciences 117, 18324-18331 (2020)655https://doi.org/10.1073/pnas.2009272117

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: T.E. Li; J.E. Subotnik; A. Nitzan
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Cavity molecular dynamics simulations of liquid water under vibrational ultrastrong couplingCavity Molecular Dynamics Simulations of Liquid Water under Vibrational Ultrastrong Coupling	Cavity molecular dynamics simulations of liquid water under vibrational ultrastrong coupling
year cv	20202020	2020
venue crossref	Proceedings of the National Academy of Sciences	Proceedings of the National Academy of Sciences	Proceedings of the National Academy of Sciences
kind cv	articlearticle	article
DOI cv	10.1073/pnas.200927211710.1073/pnas.2009272117	10.1073/pnas.2009272117
first author openalex	Li	Li

Citations

OpenAlex: 150
Scholar: 149
DOI: 10.1073/pnas.2009272117
OpenAlex: W3042899518

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Chemical Reaction Rates for Systems with Spin–Orbit Coupling and an Odd Number of Electrons: Does Berry’s Phase Lead to Meaningful Spin-Dependent Nuclear Dynamics for a Two State Crossing? The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 644–649 · CV · published

644116. Y Wu, G Miao, JE Subotnik645"Chemical Reaction Rates for Systems with Spin–Orbit Coupling and an Odd Number of646Electrons: Does Berry’s Phase Lead to Meaningful Spin-Dependent Nuclear Dynamics for a647Two State Crossing?"648J. Phys. Chem. A 124, 7355-7372 3 (2020)649https://doi.org/10.1021/acs.jpca.0c04562

Institution fields

Peer reviewed: yes
First author: Wu
Co-authors: Y Wu; G Miao; JE Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Chemical Reaction Rates for Systems with Spin–Orbit Coupling and an Odd Number of Electrons: Does Berry’s Phase Lead to Meaningful Spin-Dependent Nuclear Dynamics for a Two State Crossing?	Chemical reaction rates for systems with spin–orbit coupling and an odd number of electrons: Does Berry’s phase lead to meaningful spin-dependent nuclear dynamics for a two …
year cv	2020	2020
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI cv	10.1021/acs.jpca.0c04562
first author cv	Wu	Wu

Citations

OpenAlex: none
Scholar: 42
DOI: 10.1021/acs.jpca.0c04562

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Configuration interaction approaches for solving quantum impurity models The Journal of Chemical Physics article journal CV OA GS

CV span

lines 679–682 · CV · published

679110. Z. Jin, W. Dou and J.E. Subotnik680“Configuration interaction approaches for solving quantum impurity models"681J. Chem. Phys., 152, 064105 (2020)682https://doi.org/10.1063/1.5131624

Institution fields

Peer reviewed: yes
First author: Jin
Co-authors: Z. Jin; W. Dou; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Configuration interaction approaches for solving quantum impurity models	Configuration interaction approaches for solving quantum impurity models
year cv	2020	2020
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.5131624
first author cv	Jin	Jin

Citations

OpenAlex: none
Scholar: 8
DOI: 10.1063/1.5131624

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Feature Article: Nonadiabatic Molecular Dynamics at Metal Surfaces The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 689–692 · CV · published

689108. W. Dou and J. E. Subotnik,690“Feature Article: Nonadiabatic Molecular Dynamics at Metal Surfaces"691J. Phys. Chem. A, 124, 757-771 (2020)692https://doi.org/10.1021/acs.jpca.9b10698

Institution fields

Peer reviewed: yes
First author: Dou
Co-authors: W. Dou; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Feature Article: Nonadiabatic Molecular Dynamics at Metal Surfaces	Nonadiabatic molecular dynamics at metal surfaces
year cv	2020	2020
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI cv	10.1021/acs.jpca.9b10698
first author cv	Dou	Dou

Citations

OpenAlex: none
Scholar: 58
DOI: 10.1021/acs.jpca.9b10698

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Modeling Collective Emission in Cavities by Phase Space Trajectories Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title openalex		Modeling Collective Emission in Cavities by Phase Space Trajectories
year openalex		2020
venue openalex		Bulletin of the American Physical Society
kind openalex		article
first author openalex		Li

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W3004185874

Match decisions

No decision recorded; a single record.

2020 Modeling voltammetry curves for proton coupled electron transfer: The importance of nuclear quantum effects The Journal of Chemical Physics article journal CV OA GS

CV span

lines 663–667 · CV · published

663113. A.J. Coffman, W. Dou, S. Hammes-Schiffer, J.E. Subotnik664"Modeling voltammetry curves for proton coupled electron transfer: The importance of665nuclear quantum effects"666J. Chem. Phys. 152, 234108 (2020)667https://doi.org/10.1063/5.0010412

Institution fields

Peer reviewed: yes
First author: Coffman
Co-authors: A.J. Coffman; W. Dou; S. Hammes-Schiffer; J.E. Subotnik
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Modeling voltammetry curves for proton coupled electron transfer: The importance of nuclear quantum effectsModeling voltammetry curves for proton coupled electron transfer: The importance of nuclear quantum effects	Modeling voltammetry curves for proton coupled electron transfer: The importance of nuclear quantum effects
year cv	20202020	2020
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	articlearticle	other
DOI cv	10.1063/5.0010412
first author cv	CoffmanCoffman	Coffman

Citations

OpenAlex: none
Scholar: 10
DOI: 10.1063/5.0010412

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Nonadiabatic Dynamics in a Laser Field: Using Floquet Fewest Switches Surface Hopping To Calculate Electronic Populations for Slow Nuclear Velocities Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 701–705 · CV · published

701106. Z. Zhou, H. T. Chen, A. Nitzan and J. E. Subotnik,702“Nonadiabatic Dynamics in a Laser Field: Using Floquet Fewest Switches Surface Hopping703To Calculate Electronic Populations for Slow Nuclear Velocities"704JCTC, 16, 821-842, (2020)705https://doi.org/10.1021/acs.jctc.9b00950

Institution fields

Peer reviewed: yes
First author: Zhou
Co-authors: Z. Zhou; H. T. Chen; A. Nitzan; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Nonadiabatic Dynamics in a Laser Field: Using Floquet Fewest Switches Surface Hopping To Calculate Electronic Populations for Slow Nuclear Velocities	Nonadiabatic Dynamics in a Laser Field: Using Floquet Fewest Switches Surface Hopping To Calculate Electronic Populations for Slow Nuclear Velocities	Nonadiabatic dynamics in a laser field: Using Floquet fewest switches surface hopping to calculate electronic populations for slow nuclear velocities
year cv	2020	2020	2020
venue crossref	JCTC	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	article	other
DOI cv	10.1021/acs.jctc.9b00950	10.1021/acs.jctc.9b00950
first author openalex	Zhou	Zhou	Zhou

Citations

OpenAlex: 22
Scholar: 27
DOI: 10.1021/acs.jctc.9b00950
OpenAlex: W2999761656

Match decisions

fingerprint merged · 1.00 · Run 18

2020 On the origin of ground-state vacuum-field catalysis: Equilibrium consideration The Journal of Chemical Physics article journal CV OA GS

CV span

lines 669–672 · CV · published

669112. T.E. Li, A. Nitzan, J.E. Subotnik670"On the origin of ground-state vacuum-field catalysis: Equilibrium consideration"671J. Chem. Phys. 152, 234107 (2020)672https://doi.org/10.1063/5.0006472

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: T.E. Li; A. Nitzan; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	On the origin of ground-state vacuum-field catalysis: Equilibrium consideration	On the origin of ground-state vacuum-field catalysis: Equilibrium consideration
year cv	2020	2020
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0006472
first author cv	Li	Li

Citations

OpenAlex: none
Scholar: 169
DOI: 10.1063/5.0006472

Match decisions

fingerprint merged · 1.00 · Run 18

2020 On the proper derivation of the Floquet-based quantum classical Liouville equation and surface hopping describing a molecule or material subject to an external field The Journal of Chemical Physics article journal CV OA GS

CV span

lines 657–661 · CV · published

657114. H.T. Chen, Z. Zhou, J.E. Subotnik658"On the proper derivation of the Floquet-based quantum classical Liouville equation and659surface hopping describing a molecule or material subject to an external field"660J. Chem. Phys. 153, 044116 (2020)661https://doi.org/10.1063/5.0013873

Institution fields

Peer reviewed: yes
First author: Chen
Co-authors: H.T. Chen; Z. Zhou; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	On the proper derivation of the Floquet-based quantum classical Liouville equation and surface hopping describing a molecule or material subject to an external field	On the proper derivation of the Floquet-based quantum classical Liouville equation and surface hopping describing a molecule or material subject to an external field
year cv	2020	2020
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/5.0013873
first author cv	Chen	Chen

Citations

OpenAlex: none
Scholar: 15
DOI: 10.1063/5.0013873

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Quasiclassical modeling of cavity quantum electrodynamics Physical Review A article journal CV OA GS

CV span

lines 674–677 · CV · published

674111. T. E. Li, H.-T. Chen, A. Nitzan and J. E. Subotnik675"Quasiclassical modeling of cavity quantum electrodynamics"676Phys. Rev. A, 101, 033831 (2020)677https://doi.org/10.1103/PhysRevA.101.033831

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: T. E. Li; H.-T. Chen; A. Nitzan; J. E. Subotnik
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Quasiclassical modeling of cavity quantum electrodynamics	Quasiclassical modeling of cavity quantum electrodynamics	Quasiclassical modeling of cavity quantum electrodynamics
year cv	2020	2020	2020
venue crossref	Phys. Rev. A	Physical Review A	Physical Review A	Physical Review A
kind cv	article	article	other
DOI cv	10.1103/physreva.101.033831	10.1103/physreva.101.033831
first author openalex	Li	Li	Li

Citations

OpenAlex: 47
Scholar: 51
DOI: 10.1103/physreva.101.033831
OpenAlex: W2978753054

Match decisions

fingerprint merged · 1.00 · Run 18

2020 TD-DFT spin-adiabats with analytic nonadiabatic derivative couplings The Journal of Chemical Physics article journal CV OA GS

CV span

lines 684–687 · CV · published

684109. N. Bellonzi, E. Alguire, S. Fatehi, Y. Shao and J. E. Subotnik, "685“TD-DFT spin-adiabats with analytic nonadiabatic derivative couplings"686J. Chem. Phys., 152, 044112 (2020)687https://doi.org/10.1063/1.5126440

Institution fields

Peer reviewed: yes
First author: Bellonzi
Co-authors: N. Bellonzi; E. Alguire; S. Fatehi; Y. Shao; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	TD-DFT spin-adiabats with analytic nonadiabatic derivative couplings	TD-DFT spin-adiabats with analytic nonadiabatic derivative couplings
year cv	2020	2020
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.5126440
first author cv	Bellonzi	Bellonzi

Citations

OpenAlex: none
Scholar: 18
DOI: 10.1063/1.5126440

Match decisions

gemini merged · 0.95 · Run 18 The CV record and Google Scholar record share the exact same title, journal, year, and authors for the configuration interaction paper.

2019 A comparison of surface hopping approaches for capturing metal-molecule electron transfer: A broadened classical master equation versus independent electron surface hopping The Journal of Chemical Physics article journal CV OA GS

CV span

lines 788–792 · CV · published

78891. G. Miao, W. Ouyang, and J. E. Subotnik789"A comparison of surface hopping approaches for capturing metal-molecule electron790transfer: A broadened classical master equation versus independent electron surface hopping"791J. Chem. Phys., 150, 041711 (2019)792http://dx.doi.org/10.1063/1.5050235

Institution fields

Peer reviewed: yes
First author: Miao
Co-authors: G. Miao; W. Ouyang; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A comparison of surface hopping approaches for capturing metal-molecule electron transfer: A broadened classical master equation versus independent electron surface hopping	A comparison of surface hopping approaches for capturing metal-molecule electron transfer: A broadened classical master equation versus independent electron surface hopping
year cv	2019	2019
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.5050235
first author cv	Miao	Miao

Citations

OpenAlex: none
Scholar: 24
DOI: 10.1063/1.5050235

Match decisions

fingerprint merged · 1.00 · Run 18

2019 A demonstration of consistency between the quantum classical Liouville equation and Berry’s phase and curvature for the case of complex Hamiltonians The Journal of Chemical Physics article journal CV OA GS

CV span

lines 720–724 · CV · published

720103. J. E. Subotnik, G. Miao, N. Bellonzi, H. H. Teh, and W. Dou721"A demonstration of consistency between the quantum classical Liouville equation and722Berry’s phase and curvature for the case of complex Hamiltonians"723J. Chem. Phys. 10 , 3426 - 3432 (2019)724http://doi.org/ 10.1063/1.5116210

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: J. E. Subotnik; G. Miao; N. Bellonzi; H. H. Teh; W. Dou
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A demonstration of consistency between the quantum classical Liouville equation and Berry’s phase and curvature for the case of complex Hamiltonians	A demonstration of consistency between the quantum classical Liouville equation and Berry’s phase and curvature for the case of complex Hamiltonians
year cv	2019	2019
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.5116210
first author cv	Subotnik	Subotnik

Citations

OpenAlex: none
Scholar: 26
DOI: 10.1063/1.5116210

Match decisions

fingerprint merged · 1.00 · Run 18

2019 An extension of the fewest switches surface hopping algorithm to complex Hamiltonians and photophysics in magnetic fields: Berry curvature and “magnetic” forces The Journal of Chemical Physics article journal CV OA GS

CV span

lines 754–758 · CV · published

75497. G. Miao, N. Bellonzi, and J. E. Subotnik755"An extension of the fewest switches surface hopping algorithm to complex Hamiltonians756and photophysics in magnetic fields: Berry curvature and “magnetic” forces"757J. Chem. Phys., 150 , 124101 (2019)758https://doi.org/10.1063/1.5088770

Institution fields

Peer reviewed: yes
First author: Miao
Co-authors: G. Miao; N. Bellonzi; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	An extension of the fewest switches surface hopping algorithm to complex Hamiltonians and photophysics in magnetic fields: Berry curvature and “magnetic” forces	An extension of the fewest switches surface hopping algorithm to complex Hamiltonians and photophysics in magnetic fields: Berry curvature and “magnetic” forces
year cv	2019	2019
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.5088770
first author cv	Miao	Miao

Citations

OpenAlex: none
Scholar: 45
DOI: 10.1063/1.5088770

Match decisions

fingerprint merged · 1.00 · Run 18

2019 A practical ansatz for evaluating the electronic friction tensor accurately, efficiently, and in a nearly black-box format The Journal of Chemical Physics article journal CV OA GS

CV span

lines 748–752 · CV · published

74898. Zuxin Jin and J. E. Subotnik.749"A practical ansatz for evaluating the electronic friction tensor accurately, efficiently, and in750a nearly black-box format"751J. Chem. Phys., 150 , 164105 (2019)752https://doi.org/10.1063/1.5085683

Institution fields

Peer reviewed: yes
First author: Jin
Co-authors: Zuxin Jin; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A practical ansatz for evaluating the electronic friction tensor accurately, efficiently, and in a nearly black-box format	A practical ansatz for evaluating the electronic friction tensor accurately, efficiently, and in a nearly black-box format
year cv	2019	2019
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.5085683
first author cv	Jin	Jin

Citations

OpenAlex: none
Scholar: 18
DOI: 10.1063/1.5085683

Match decisions

fingerprint merged · 1.00 · Run 18

2019 A Predictive Semiclassical Model for Coherent and Incoherent Emission in the Strong Field Regime: The Mollow Triplet Revisited The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 742–746 · CV · published

74299. H-T. Chen and T. E. Li and A. Nitzan and and J. E. Subotnik.743"Predictive Semiclassical Model for Coherent and IncoherentEmission in the Strong Field744Regime: The Mollow Triplet Revisited"745J. Phys. Chem. Lett., 10 , 1331 - 1336 (2019)746https://doi.org/10.1021/acs.jpclett.9b00181

Institution fields

Peer reviewed: yes
First author: Chen
Co-authors: H-T. Chen; T. E. Li; A. Nitzan; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Predictive Semiclassical Model for Coherent and IncoherentEmission in the Strong Field Regime: The Mollow Triplet RevisitedA Predictive Semiclassical Model for Coherent and Incoherent Emission in the Strong Field Regime: The Mollow Triplet Revisited	Predictive Semiclassical Model for Coherent and Incoherent Emission in the Strong Field Regime: The Mollow Triplet Revisited
year cv	20192019	2019
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	articlearticle	article
DOI cv	10.1021/acs.jpclett.9b0018110.1021/acs.jpclett.9b00181	10.1021/acs.jpclett.9b00181
first author openalex	Chen	Chen

Citations

OpenAlex: 12
Scholar: 15
DOI: 10.1021/acs.jpclett.9b00181
OpenAlex: W2911149237

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Beyond Born-Oppenheimer dynamics at metal surfaces: Surface hopping and electronic friction ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Beyond Born-Oppenheimer dynamics at metal surfaces: Surface hopping and electronic friction
year scholar			2019
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Dou

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2019 Comparison of Different Classical, Semiclassical, and Quantum Treatments of Light−Matter Interactions: Understanding Energy Conservation Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 771–775 · CV · published

77194. T. E. Li, H-T Chen, and J. E. Subotnik772"Comparison of Different Classical, Semiclassical, and Quantum Treatments of Light−Matter773Interactions: Understanding Energy Conservation"774J. Chem. Theor. Comp., 15, 1957-1973 (2019)775http://dx.doi.org/10.1021/acs.jctc.8b01232

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: T. E. Li; H-T Chen; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Comparison of Different Classical, Semiclassical, and Quantum Treatments of Light−Matter Interactions: Understanding Energy Conservation	Comparison of different classical, semiclassical, and quantum treatments of light–matter interactions: Understanding energy conservation
year cv	2019	2019
venue crossref	J. Chem. Theor. Comp.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI cv	10.1021/acs.jctc.8b01232
first author cv	Li	Li

Citations

OpenAlex: none
Scholar: 33
DOI: 10.1021/acs.jctc.8b01232

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Configuration interaction singles with spin-orbit coupling: Constructing spin-adiabatic states and their analytical nuclear gradients The Journal of Chemical Physics article journal CV OA GS

CV span

lines 760–764 · CV · published

76096. N. Bellonzi , G. R. Medders , E. Epifanovsky, and J. E. Subotnik761"Configuration interaction singles with spin-orbit coupling: Constructing spin-adiabatic762states and their analytical nuclear gradients"763J. Chem. Phys., 150 , 014106 (2019)764https://doi.org/10.1063/1.5045484

Institution fields

Peer reviewed: yes
First author: Bellonzi
Co-authors: N. Bellonzi; G. R. Medders; E. Epifanovsky; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Configuration interaction singles with spin-orbit coupling: Constructing spin-adiabatic states and their analytical nuclear gradients	Configuration interaction singles with spin-orbit coupling: Constructing spin-adiabatic states and their analytical nuclear gradients
year cv	2019	2019
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.5045484
first author cv	Bellonzi	Bellonzi

Citations

OpenAlex: none
Scholar: 22
DOI: 10.1063/1.5045484

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Ehrenfest+R dynamics. I. A mixed quantum–classical electrodynamics simulation of spontaneous emission The Journal of Chemical Physics article journal CV OA GS

CV span

lines 782–786 · CV · published

78292. H.-T. Chen, T. E. Li, M. Sukharev. A. Nitzan, J. E. Subotnik783"Ehrenfest+R dynamics. I. A mixed quantum–classical electrodynamics simulation of784spontaneous emission"785J. Chem. Phys., 150, 044102 (2019)786http://dx.doi.org/10.1063/1.5057365

Institution fields

Peer reviewed: yes
First author: Chen
Co-authors: H.-T. Chen; T. E. Li; M. Sukharev; A. Nitzan; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Ehrenfest+R dynamics. I. A mixed quantum–classical electrodynamics simulation of spontaneous emission	Ehrenfest+ R dynamics. I. A mixed quantum–classical electrodynamics simulation of spontaneous emission
year cv	2019	2019
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.5057365
first author cv	Chen	Chen

Citations

OpenAlex: none
Scholar: 54
DOI: 10.1063/1.5057365

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Ehrenfest+R dynamics II: A semiclassical QED framework for Raman scattering The Journal of Chemical Physics article journal CV OA GS

CV span

lines 777–780 · CV · published

77793. H.-T. Chen, T. E. Li, M. Sukharev. A. Nitzan, J. E. Subotnik778"Ehrenfest+R dynamics. II. A semiclassical QED framework for Raman scattering"779J. Chem. Phys., 150, 044103 (2019)780http://dx.doi.org/10.1063/1.5057366

Institution fields

Peer reviewed: yes
First author: Chen
Co-authors: H.-T. Chen; T. E. Li; M. Sukharev; A. Nitzan; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	CrossRef
title cv	Ehrenfest+R dynamics. II. A semiclassical QED framework for Raman scatteringEhrenfest+R dynamics II: A semiclassical QED framework for Raman scattering
year cv	20192019
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	articlearticle
DOI cv	10.1063/1.505736610.1063/1.5057366
first author cv	ChenChen

Citations

OpenAlex: none
Scholar: 22
DOI: 10.1063/1.5057366

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Modeling Electron Transfer in Diffusive Multidimensional Electrochemical Systems The Journal of Physical Chemistry C supplement Supporting information for: Modeling Electron Transfer in Diffusive Multidimensional Elec… article journal CV OA GS

CV span

lines 737–740 · CV · published

737100. A. J. Coffman, A. Karippara Harshan, S. Hammes-Schiffer, J. E. Subotnik,738"Modeling Electron Transfer in Diffusive Multidimensional Electrochemical Systems"739J. Phys. Chem. C., 123 , 13304 - 13317 (2019)740https://doi.org/10.1021/acs.jpcc.9b02068

Institution fields

Peer reviewed: yes
First author: Coffman
Co-authors: A. J. Coffman; A. Karippara Harshan; S. Hammes-Schiffer; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Modeling Electron Transfer in Diffusive Multidimensional Electrochemical Systems	Modeling Electron Transfer in Diffusive Multidimensional Electrochemical Systems
year cv	2019	2019
venue crossref	J. Phys. Chem. C.	The Journal of Physical Chemistry C	The Journal of Physical Chemistry C
kind cv	article	other
DOI cv	10.1021/acs.jpcc.9b02068
first author cv	Coffman	Coffman

Citations

OpenAlex: none
Scholar: 6
DOI: 10.1021/acs.jpcc.9b02068

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Nonadiabatic dynamics at metal surfaces: Surface hopping and electronic friction APS March Meeting Abstracts 2019, F60 article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Nonadiabatic dynamics at metal surfaces: Surface hopping and electronic friction
year scholar			2019
venue scholar			APS March Meeting Abstracts
kind scholar			other
first author scholar			Dou

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2019 Revisiting the Recoherence Problem in the Fewest Switches Surface Hopping Algorithm The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 726–729 · CV · published

726102. G. Miao and J. E. Subotnik727“Revisiting the Recoherence Problem in the Fewest Switches Surface Hopping Algorithm”728J. Phys. Chem. A., 123, 5428-5435 (2019)729https://doi.org/10.1021/acs.jpca.9b03188

Institution fields

Peer reviewed: yes
First author: Miao
Co-authors: G. Miao; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Revisiting the Recoherence Problem in the Fewest Switches Surface Hopping Algorithm	Revisiting the recoherence problem in the fewest switches surface hopping algorithm
year cv	2019	2019
venue crossref	J. Phys. Chem. A.	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI cv	10.1021/acs.jpca.9b03188
first author cv	Miao	Miao

Citations

OpenAlex: none
Scholar: 28
DOI: 10.1021/acs.jpca.9b03188

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Semiclassical energy transfer: What is the right Hamiltonian? ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Semiclassical energy transfer: What is the right Hamiltonian?
year scholar			2019
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Li

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2019 Simple and Efficient Theoretical Approach To Compute 2D Optical Spectra The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 766–769 · CV · published

76695. A. Jain, A. S. Petit, J. M. Anna, and J. E. Subotnik767"Simple and Efficient Theoretical Approach To Compute 2D Optical Spectra"768J. Phys. Chem. B., 123, 1602-1617 (2019)769http://dx.doi.org/10.1021/acs.jpcb.8b08674

Institution fields

Peer reviewed: yes
First author: Jain
Co-authors: A. Jain; A. S. Petit; J. M. Anna; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Simple and Efficient Theoretical Approach To Compute 2D Optical Spectra	Simple and efficient theoretical approach to compute 2D optical spectra
year cv	2019	2019
venue crossref	J. Phys. Chem. B.	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	other
DOI cv	10.1021/acs.jpcb.8b08674
first author cv	Jain	Jain

Citations

OpenAlex: none
Scholar: 22
DOI: 10.1021/acs.jpcb.8b08674

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Special Topic on Interfacial Electrochemistry and Photo (electro) catalysis The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Special Topic on Interfacial Electrochemistry and Photo (electro) catalysis	Special Topic on Interfacial Electrochemistry and Photo(electro)catalysis
year cv	2019	2019
venue crossref		The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	article
DOI crossref		10.1063/1.5088351	10.1063/1.5088351
first author openalex		Lian

Citations

OpenAlex: 6
Scholar: 9
DOI: 10.1063/1.5088351
OpenAlex: W2913154485

Match decisions

No decision recorded; a single record.

2019 The Simplest Possible Approach for Simulating S0−S1 Conical Intersections with DFT/TDDFT: Adding One Doubly Excited Configuration The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 731–735 · CV · published

731101. H. H. Teh and J. E. Subotnik,732"The Simplest Possible Approach for Simulating S0−S1 Conical Intersections with733DFT/TDDFT: Adding One Doubly Excited Configuration"734J. Phys. Chem. Lett., 10 , 3426 - 3432 (2019)735https://pubs.acs.org/doi/10.1021/acs.jpclett.9b00981

Institution fields

Peer reviewed: yes
First author: Teh
Co-authors: H. H. Teh; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	The Simplest Possible Approach for Simulating S0−S1 Conical Intersections with DFT/TDDFT: Adding One Doubly Excited Configuration	The Simplest Possible Approach for Simulating S0–S1 Conical Intersections with DFT/TDDFT: Adding One Doubly Excited Configuration
year cv	2019	2019
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	article	other
DOI cv	10.1021/acs.jpclett.9b00981
first author cv	Teh	Teh

Citations

OpenAlex: none
Scholar: 52
DOI: 10.1021/acs.jpclett.9b00981

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Understanding detailed balance for an electron-radiation system through mixed quantum-classical electrodynamics Physical Review A article journal CV OA GS

CV span

lines 714–718 · CV · published

714104. H. T. Chen, T. E. Li, A. Nitzan and J. E. Subotnik,715"Understanding detailed balance for an electron-radiation system through mixed quantum-716classical electrodynamics"717Phys. Rev A (Rapid Comm), 100, 010101(R) (2019)718http://doi.org/10.1103/PhysRevA.100.010101

Institution fields

Peer reviewed: yes
First author: Chen
Co-authors: H. T. Chen; T. E. Li; A. Nitzan; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Understanding detailed balance for an electron-radiation system through mixed quantum-classical electrodynamicsUnderstanding detailed balance for an electron-radiation system through mixed quantum-classical electrodynamics	Understanding detailed balance for an electron-radiation system through mixed quantum-classical electrodynamics
year cv	20192019	2019
venue crossref	Phys. Rev A (Rapid Comm)	Physical Review A	Physical Review A
kind cv	articlearticle	article
DOI cv	10.1103/physreva.100.01010110.1103/physreva.100.010101	10.1103/physreva.100.010101
first author openalex	Chen	Chen

Citations

OpenAlex: 8
Scholar: 7
DOI: 10.1103/physreva.100.010101
OpenAlex: W2934113335

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Understanding the Nature of Mean-Field Semiclassical Light-Matter Dynamics: An Investigation of Energy Transfer, Electron-Electron Correlations, External Driving and Long-Time Detailed Balance Physical Review A article journal CV OA GS

CV span

lines 707–712 · CV · published

707105. T. E. Li, H-T Chen, and J. E. Subotnik.708“Understanding the nature of mean-field semiclassical light-matter dynamics: An709investigation of energy transfer, electron-electron correlations, external driving, and long-710time detailed balance"711Phys. Rev. A, 100, 062509 (2019)712https://doi.org/10.1103/PhysRevA.100.062509

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: T. E. Li; H-T Chen; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	Understanding the nature of mean-field semiclassical light-matter dynamics: An investigation of energy transfer, electron-electron correlations, external driving, and long-time detailed balanceUnderstanding the Nature of Mean-Field Semiclassical Light-Matter Dynamics: An Investigation of Energy Transfer, Electron-Electron Correlations, External Driving and Long-Time Detailed Balance	Understanding the nature of mean-field semiclassical light-matter dynamics: An investigation of energy transfer, electron-electron correlations, external driving, and long-time detailed balance
year cv	20192019	2019
venue crossref	Phys. Rev. A	Physical Review A	Physical Review A
kind cv	articlearticle	article
DOI cv	10.1103/physreva.100.06250910.1103/physreva.100.062509	10.1103/physreva.100.062509
first author openalex	Li	Li

Citations

OpenAlex: 8
Scholar: 12
DOI: 10.1103/physreva.100.062509
OpenAlex: W2966093182

Match decisions

fingerprint merged · 1.00 · Run 18

2018 A broadened classical master equation approach for treating electron-nuclear coupling in non-equilibrium transport The Journal of Chemical Physics article journal CV OA GS

CV span

lines 843–846 · CV · published

84381. W. Dou, C. Schinabeck, M. Thoss and J. E. Subotnik. "A broadened classical master844equation approach for treating electron-nuclear coupling in non-equilibrium transport"845J. Chem. Phys. 148, 102317 (2018)846http://dx.doi.org/10.1063/1.4992784

Institution fields

Peer reviewed: yes
First author: Dou
Co-authors: W. Dou; C. Schinabeck; M. Thoss; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A broadened classical master equation approach for treating electron-nuclear coupling in non-equilibrium transport	A broadened classical master equation approach for treating electron-nuclear coupling in non-equilibrium transport
year cv	2018	2018
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4992784
first author cv	Dou	Dou

Citations

OpenAlex: none
Scholar: 31
DOI: 10.1063/1.4992784

Match decisions

fingerprint merged · 1.00 · Run 18

2018 A Necessary Trade-off for Semiclassical Electrodynamics: Accurate Short-Range Coulomb Interactions versus the Enforcement of Causality? The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 799–803 · CV · published

79989. T. E. Li, H-T Chen, A. Nitzan, M. Sukharev and J. E. Subotnik800“A Necessary Trade-off for Semiclassical Electrodynamics: Accurate Short-Range Coulomb801Interactions versus the Enforcement of Causality?”802J. Phys. Chem. Lett, 9, 5955-5961 (2018)803http://dx.doi.org/10.1021/acs.jpclett.8b02309

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: T. E. Li; H-T Chen; A. Nitzan; M. Sukharev; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	A Necessary Trade-off for Semiclassical Electrodynamics: Accurate Short-Range Coulomb Interactions versus the Enforcement of Causality?	A Necessary Trade-off for Semiclassical Electrodynamics: Accurate Short-Range Coulomb Interactions versus the Enforcement of Causality?	A necessary trade-off for semiclassical electrodynamics: accurate short-range Coulomb interactions versus the enforcement of causality?
year cv	2018	2018	2018
venue crossref	J. Phys. Chem. Lett	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	article	article	other
DOI cv	10.1021/acs.jpclett.8b02309	10.1021/acs.jpclett.8b02309
first author openalex	Li	Li	Li

Citations

OpenAlex: 12
Scholar: 14
DOI: 10.1021/acs.jpclett.8b02309
OpenAlex: W2808086480

Match decisions

fingerprint merged · 1.00 · Run 18

2018 Comparison between the Bethe-Salpeter Equation and Configuration Interaction Approaches for Solving a Quantum Chemistry Problem: Calculating the Excitation Energy for Finite 1D Hubbard Chains Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 827–831 · CV · published

82784. Q. Ou and J. E. Subotnik. "Comparison between the Bethe-Salpeter Equation and828Configuration Interaction Approaches for Solving a Quantum Chemistry Problem:829Calculating the Excitation Energy for Finite 1D Hubbard Chains "830J. Comp. Theor. Chem., 14, 527-542 (2018)831http://dx.doi.org/10.1021/acs.jctc.7b00246

Institution fields

Peer reviewed: yes
First author: Ou
Co-authors: Q. Ou; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Comparison between the Bethe-Salpeter Equation and Configuration Interaction Approaches for Solving a Quantum Chemistry Problem: Calculating the Excitation Energy for Finite 1D Hubbard Chains	Comparison between the Bethe–Salpeter Equation and Configuration Interaction Approaches for Solving a Quantum Chemistry Problem: Calculating the Excitation Energy for Finite 1D …
year cv	2018	2018
venue crossref	J. Comp. Theor. Chem.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI cv	10.1021/acs.jctc.7b00246
first author cv	Ou	Ou

Citations

OpenAlex: none
Scholar: 9
DOI: 10.1021/acs.jctc.7b00246

Match decisions

fingerprint merged · 1.00 · Run 18

2018 Electron and Energy Transfer Dynamics in Homogeneous and Inhomogeneous Environments other CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Electron and Energy Transfer Dynamics in Homogeneous and Inhomogeneous Environments
year scholar			2018
kind scholar			other
first author scholar			Subotnik

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2018 Mixed Quantum Classical Electrodynamics: Understanding Spontaneous Decay and Zero Point Energy. Physical Review A article journal CV OA GS

CV span

lines 815–819 · CV · published

81586. T. E. Li, A. Nitzan, M. Sukharev, T. Martinez, H. T. Chen, and J. E. Subotnik816“Mixed Quantum Classical Electrodynamics: Understanding Spontaneous Decay and Zero817Point Energy.”818Phys. Rev. A., 97, 032105 (2018)819http://dx.doi.org/10.1103/PhysRevA.97.032105

Institution fields

Peer reviewed: yes
First author: Li
Co-authors: T. E. Li; A. Nitzan; M. Sukharev; T. Martinez; H. T. Chen; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Mixed Quantum Classical Electrodynamics: Understanding Spontaneous Decay and Zero Point Energy.	Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy	Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy
year cv	2018	2018	2018
venue crossref	Phys. Rev. A.	Physical Review A	Physical Review A	Physical Review A
kind cv	article	article	other
DOI cv	10.1103/physreva.97.032105	10.1103/physreva.97.032105
first author openalex	Li	Li	Li

Citations

OpenAlex: 49
Scholar: 53
DOI: 10.1103/physreva.97.032105
OpenAlex: W2785051620

Match decisions

fingerprint merged · 1.00 · Run 18

2018 Open challenges in nonadiabatic dynamics: photons and electron-hole pairs APS March Meeting Abstracts 2018, V03 article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Open challenges in nonadiabatic dynamics: photons and electron-hole pairs
year scholar			2018
venue scholar			APS March Meeting Abstracts
kind scholar			other
first author scholar			Subotnik

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2018 Perspective: How to Understand Electronic Friction? The Journal of Chemical Physics article journal CV OA GS

CV span

lines 805–808 · CV · published

80588. W. Dou and J. E. Subotnik806"Perspective: How to Understand Electronic Friction?"807J. Chem. Phys., 148, 230901 (2018)808https://dx.doi.org/10.1063/1.5035412

Institution fields

Peer reviewed: yes
First author: Dou
Co-authors: W. Dou; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Perspective: How to Understand Electronic Friction?	Perspective: How to understand electronic friction
year cv	2018	2018
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.5035412
first author cv	Dou	Dou

Citations

OpenAlex: none
Scholar: 125
DOI: 10.1063/1.5035412

Match decisions

fingerprint merged · 1.00 · Run 18

2018 Universal approach to quantum thermodynamics in the strong coupling regime Physical Review B article journal CV OA GS

CV span

lines 794–797 · CV · published

79490. W. Dou, M. A. Ochoa, A. Nitzan, J. E. Subotnik795"Universal approach to quantum thermodynamics in the strong coupling regime"796Phys. Rev. B, 98, 134306 (2018)797http://dx.doi.org/10.1103/PhysRevB.98.134306

Institution fields

Peer reviewed: yes
First author: Dou
Co-authors: W. Dou; M. A. Ochoa; A. Nitzan; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Universal approach to quantum thermodynamics in the strong coupling regime	Universal approach to quantum thermodynamics in the strong coupling regime	Universal approach to quantum thermodynamics in the strong coupling regime
year cv	2018	2018	2018
venue crossref	Phys. Rev. B	Physical review. B./Physical review. B	Physical Review B	Physical Review B
kind cv	article	article	other
DOI cv	10.1103/physrevb.98.134306	10.1103/physrevb.98.134306
first author openalex	Dou	Dou	Dou

Citations

OpenAlex: 63
Scholar: 74
DOI: 10.1103/physrevb.98.134306
OpenAlex: W2888105182

Match decisions

fingerprint merged · 1.00 · Run 18

2018 Universality of electronic friction. II. Equivalence of the quantum-classical Liouville equation approach with von Oppen’s nonequilibrium Green’s function methods out of equilibrium Physical Review B article journal CV OA GS

CV span

lines 821–825 · CV · published

82185 W. Dou and J.E. Subotnik. "Universality of electronic friction. II. Equivalence of the822quantum-classical Liouville equation approach with von Oppen’s nonequilibrium Green’s823function methods out of equilibrium824Phys Rev. B., 97, 064303 (2018)825http://dx.doi.org/10.1103/PhysRevB.97.064303

Institution fields

Peer reviewed: yes
First author: Dou
Co-authors: W. Dou; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Universality of electronic friction. II. Equivalence of the quantum-classical Liouville equation approach with von Oppen’s nonequilibrium Green’s function methods out of equilibrium	Universality of electronic friction. II. Equivalence of the quantum-classical Liouville equation approach with von Oppen's nonequilibrium Green's function methods out of …
year cv	2018	2018
venue crossref	Phys Rev. B.	Physical Review B	Physical Review B
kind cv	article	other
DOI cv	10.1103/physrevb.97.064303
first author cv	Dou	Dou

Citations

OpenAlex: none
Scholar: 41
DOI: 10.1103/physrevb.97.064303

Match decisions

gemini merged · 0.95 · Run 18 The CV and Google Scholar records match on the title, journal, DOI, and authors for part II of the universality of electronic friction paper.

2018 Vibrational Energy Relaxation: A Benchmark for Mixed Quantum-Classical Methods The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 833–836 · CV · published

83383. A. Jain and J. E. Subotnik. "Vibrational Energy Relaxation: A Benchmark for Mixed834Quantum-Classical Methods "835J. Phys. Chem. A 122, 16-27 (2018)836http://dx.doi.org/10.1021/acs.jpca.7b09018

Institution fields

Peer reviewed: yes
First author: Jain
Co-authors: A. Jain; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Vibrational Energy Relaxation: A Benchmark for Mixed Quantum-Classical Methods	Vibrational energy relaxation: A benchmark for mixed quantum–classical methods
year cv	2018	2018
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI cv	10.1021/acs.jpca.7b09018
first author cv	Jain	Jain

Citations

OpenAlex: none
Scholar: 38
DOI: 10.1021/acs.jpca.7b09018

Match decisions

fingerprint merged · 1.00 · Run 18

2018 When is electronic friction reliable for dynamics at a molecule-metal interface? Physical Chemistry Chemical Physics article journal CV OA GS

CV span

lines 810–813 · CV · published

81087. A. J. Coffman and J. E. Subotnik811"When is electronic friction reliable for dynamics at a molecule-metal interface?"812PCCP 20, 9847 (2018)813http://dx.doi.org/10.1039/C7CP08249E

Institution fields

Peer reviewed: yes
First author: Coffman
Co-authors: A. J. Coffman; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	When is electronic friction reliable for dynamics at a molecule-metal interface?	When is electronic friction reliable for dynamics at a molecule–metal interface?
year cv	2018	2018
venue crossref	PCCP	Physical Chemistry Chemical Physics	Physical Chemistry Chemical Physics
kind cv	article	other
DOI cv	10.1039/c7cp08249e
first author cv	Coffman	Coffman

Citations

OpenAlex: none
Scholar: 18
DOI: 10.1039/c7cp08249e

Match decisions

fingerprint merged · 1.00 · Run 18

2017 Accelerating the simulation of nonadiabatic dynamics through an efficient augmented surface hopping algorithm in Q-Chem ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Accelerating the simulation of nonadiabatic dynamics through an efficient augmented surface hopping algorithm in Q-Chem
year scholar			2017
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Medders

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2017 A Generalized Surface Hopping Algorithm To Model Nonadiabatic Dynamics near Metal Surfaces: The Case of Multiple Electronic Orbitals Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 875–878 · CV · published

87575. W. Dou and J. E. Subotnik. "A Generalized Surface Hopping Algorithm To Model876Nonadiabatic Dynamics near Metal Surfaces: The Case of Multiple Electronic Orbitals"877J. Chem. Theor. Comp. 13, 2430-2439 (2017)878http://dx.doi.org/ 10.1021/acs.jctc.7b00094

Institution fields

Peer reviewed: yes
First author: Dou
Co-authors: W. Dou; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A Generalized Surface Hopping Algorithm To Model Nonadiabatic Dynamics near Metal Surfaces: The Case of Multiple Electronic Orbitals	A generalized surface hopping algorithm to model nonadiabatic dynamics near metal surfaces: The case of multiple electronic orbitals
year cv	2017	2017
venue crossref	J. Chem. Theor. Comp.	Journal of chemical theory and computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI cv	10.1021/acs.jctc.7b00094
first author cv	Dou	Dou

Citations

OpenAlex: none
Scholar: 26
DOI: 10.1021/acs.jctc.7b00094

Match decisions

fingerprint merged · 1.00 · Run 18

2017 Birefringent Stable Glass with Predominantly Isotropic Molecular Orientation Physical Review Letters article journal CV OA GS

CV span

lines 859–864 · CV · published

85978. Tianyi Liu, Annemarie L. Exarhos, Ethan C. Alguire, Feng Gao, Elmira Salami-Ranjbaran,860Kevin Cheng, Tiezheng Jia, Joseph E. Subotnik, Patrick J. Walsh, James M. Kikkawa, and861Zahra Fakhraai "Birefringent Stable Glass with Predominantly Isotropic Molecular862Orientation"863Phys. Rev. Lett. 119, 095502 (2017)864http://dx.doi.org/10.1103/PhysRevLett.119.095502

Institution fields

Peer reviewed: yes
First author: Liu
Co-authors: Tianyi Liu; Annemarie L. Exarhos; Ethan C. Alguire; Feng Gao; Elmira Salami-Ranjbaran; Kevin Cheng; Tiezheng Jia; Joseph E. Subotnik; Patrick J. Walsh; James M. Kikkawa; Zahra Fakhraai
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Birefringent Stable Glass with Predominantly Isotropic Molecular Orientation	Birefringent Stable Glass with Predominantly Isotropic Molecular Orientation	Birefringent stable glass with predominantly isotropic molecular orientation
year cv	2017	2017	2017
venue crossref	Phys. Rev. Lett.	Physical Review Letters	Physical review letters	Physical Review Letters
kind cv	article	article	other
DOI cv	10.1103/physrevlett.119.095502	10.1103/physrevlett.119.095502
first author openalex	Liu	Liu	Liu

Citations

OpenAlex: 38
Scholar: 42
DOI: 10.1103/physrevlett.119.095502
OpenAlex: W2750985976

Match decisions

fingerprint merged · 1.00 · Run 18

2017 Born-Oppenheimer Dynamics, Electronic Friction, and the Inclusion of Electron-Electron Interactions Physical Review Letters article journal CV OA GS

CV span

lines 866–868 · CV · published

86677. W. Dou, G. Miao, and J. E. Subotnik. "Born-Oppenheimer Dynamics, Electronic Friction,867and the Inclusion of Electron-Electron Interactions"868Phys. Rev. Lett. 119, 095502 (2017) http://dx.doi.org/10.1103/PhysRevLett.119.046001

Institution fields

Peer reviewed: yes
First author: Dou
Co-authors: W. Dou; G. Miao; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Born-Oppenheimer Dynamics, Electronic Friction, and the Inclusion of Electron-Electron Interactions	Born-Oppenheimer dynamics, electronic friction, and the inclusion of electron-electron interactions
year cv	2017	2017
venue crossref	Phys. Rev. Lett.	Physical review letters	Physical Review Letters
kind cv	article	other
DOI cv	10.1103/physrevlett.119.046001
first author cv	Dou	Dou

Citations

OpenAlex: none
Scholar: 130
DOI: 10.1103/physrevlett.119.046001

Match decisions

fingerprint merged · 1.00 · Run 18

2017 Dynamics of electron transfer near a metals surface ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Dynamics of electron transfer near a metals surface
year scholar			2017
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Subotnik

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2017 Localized diabatization applied to excitons in molecular crystals The Journal of Chemical Physics article journal CV OA GS

CV span

lines 870–873 · CV · published

87076. Z. Jin and J. E. Subotnik. "Localized diabatization applied to excitons in molecular871crystals"872J. Chem. Phys. 146, 244110 (2017)873http://dx.doi.org/10.1063/1.4986952

Institution fields

Peer reviewed: yes
First author: Jin
Co-authors: Z. Jin; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Localized diabatization applied to excitons in molecular crystals	Localized diabatization applied to excitons in molecular crystals
year cv	2017	2017
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4986952
first author cv	Jin	Jin

Citations

OpenAlex: none
Scholar: 10
DOI: 10.1063/1.4986952

Match decisions

fingerprint merged · 1.00 · Run 18

2017 Molecules on metal surfaces: Exciting but highly non-intuitive nonadiabatic dynamics ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Molecules on metal surfaces: Exciting but highly non-intuitive nonadiabatic dynamics
year scholar			2017
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Subotnik

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2017 Practical approaches for studying photochemistry of large molecules in solution and some nice applications ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Practical approaches for studying photochemistry of large molecules in solution and some nice applications
year scholar			2017
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Subotnik

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2017 The dynamics of charge transfer with and without a barrier: A very simplified model of cyclic voltammetry The Journal of Chemical Physics article journal CV OA GS

CV span

lines 848–851 · CV · published

84880. W. Ouyang and J. E. Subotnik. "The dynamics of charge transfer with and without a barrier:849A very simplified model of cyclic voltammetry"850J. Chem. Phys., 146, 174103 (2017)851http://dx.doi.org/10.1063/1.4979620

Institution fields

Peer reviewed: yes
First author: Ouyang
Co-authors: W. Ouyang; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	The dynamics of charge transfer with and without a barrier: A very simplified model of cyclic voltammetry	The dynamics of charge transfer with and without a barrier: A very simplified model of cyclic voltammetry
year cv	2017	2017
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4979620
first author cv	Ouyang	Ouyang

Citations

OpenAlex: none
Scholar: 4
DOI: 10.1063/1.4979620

Match decisions

fingerprint merged · 1.00 · Run 18

2017 Ultrafast Electronic Relaxation through a Conical Intersection: Nonadiabatic Dynamics Disentangled through an Oscillator Strength-Based Diabatization Framework The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 880–884 · CV · published

88074. G. Medders, E. Alguire, A. Jain, and J. E. Subotnik. "Ultrafast Electronic Relaxation881through a Conical Intersection: Nonadiabatic Dynamics Disentangled through an Oscillator882Strength-Based Diabatization Framework"883J. Phys. Chem. A 121, 1425-1434 (2017)884http://dx.doi.org/10.1021/acs.jpca.6b12120

Institution fields

Peer reviewed: yes
First author: Medders
Co-authors: G. Medders; E. Alguire; A. Jain; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Ultrafast Electronic Relaxation through a Conical Intersection: Nonadiabatic Dynamics Disentangled through an Oscillator Strength-Based Diabatization Framework	Ultrafast electronic relaxation through a conical intersection: Nonadiabatic dynamics disentangled through an oscillator strength-based diabatization framework
year cv	2017	2017
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI cv	10.1021/acs.jpca.6b12120
first author cv	Medders	Medders

Citations

OpenAlex: none
Scholar: 26
DOI: 10.1021/acs.jpca.6b12120

Match decisions

fingerprint merged · 1.00 · Run 18

2017 Universality of electronic friction: Equivalence of von Oppen's nonequilibrium Green's function approach and the Head-Gordon-Tully model at equilibrium Physical Review B article journal CV OA GS

CV span

lines 853–857 · CV · published

85379. W. Dou and J. E. Subotnik. "Universality of electronic friction: Equivalence of von Oppen's854nonequilibrium Green's function approach and the Head-Gordon-Tully model at855equilibrium "856Phys. Rev. B. 96, 104305 (2017)857http://dx.doi.org/10.1103/PhysRevB.96.104305

Institution fields

Peer reviewed: yes
First author: Dou
Co-authors: W. Dou; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Universality of electronic friction: Equivalence of von Oppen's nonequilibrium Green's function approach and the Head-Gordon-Tully model at equilibrium	Universality of electronic friction: Equivalence of von Oppen's nonequilibrium Green's function approach and the Head-Gordon–Tully model at equilibrium
year cv	2017	2017
venue crossref	Phys. Rev. B.	Physical Review B	Physical Review B
kind cv	article	other
DOI cv	10.1103/physrevb.96.104305
first author cv	Dou	Dou

Citations

OpenAlex: none
Scholar: 48
DOI: 10.1103/physrevb.96.104305

Match decisions

gemini merged · 0.95 · Run 18 The CV and Google Scholar records match on the title, journal, DOI, and authors for part II of the universality of electronic friction paper.

2017 Vibrational Relaxation at a Metal Surface: Electronic Friction Versus Classical Master Equations The Journal of Chemical Physics article journal CV OA GS

CV span

lines 838–841 · CV · published

83882. G. Miao, W. Dou and J. E. Subotnik. "Vibrational Relaxation at a Metal Surface: Electronic839Friction Versus Classical Master Equations "840J. Chem. Phys. 147, 224105 (2017) , 2017 Editors’ Choice841http://dx.doi.org/10.1063/1.5000237

Institution fields

Peer reviewed: yes
First author: Miao
Co-authors: G. Miao; W. Dou; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Vibrational Relaxation at a Metal Surface: Electronic Friction Versus Classical Master Equations	Vibrational relaxation at a metal surface: Electronic friction versus classical master equations
year cv	2017	2017
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.5000237
first author cv	Miao	Miao

Citations

OpenAlex: none
Scholar: 27
DOI: 10.1063/1.5000237

Match decisions

fingerprint merged · 1.00 · Run 18

2016 A broadened classical master equation approach for nonadiabatic dynamics at metal surfaces: Beyond the weak molecule-metal coupling limit. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 935–938 · CV · published

93564. W. Dou and J. E. Subotnik. A broadened classical master equation approach for936nonadiabatic dynamics at metal surfaces: Beyond the weak molecule-metal coupling limit.937J. Chem. Phys. 144, 024116 (2016)938http://dx.doi.org/10.1063/1.4939734

Institution fields

Peer reviewed: yes
First author: Dou
Co-authors: W. Dou; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A broadened classical master equation approach for nonadiabatic dynamics at metal surfaces: Beyond the weak molecule-metal coupling limit.	A broadened classical master equation approach for nonadiabatic dynamics at metal surfaces: Beyond the weak molecule-metal coupling limit
year cv	2016	2016
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4939734
first author cv	Dou	Dou

Citations

OpenAlex: none
Scholar: 57
DOI: 10.1063/1.4939734

Match decisions

fingerprint merged · 1.00 · Run 18

2016 A many-body states picture of electronic friction: The case of multiple orbitals and multiple electronic states. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 903–906 · CV · published

90370. W. Dou and J.E. Subotnik. "A many-body states picture of electronic friction: The case of904multiple orbitals and multiple electronic states."905J. Chem. Phys. 145, 054102 (2016)906http://dx.doi.org/10.1063/1.4959604

Institution fields

Peer reviewed: yes
First author: Dou
Co-authors: W. Dou; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A many-body states picture of electronic friction: The case of multiple orbitals and multiple electronic states.	A many-body states picture of electronic friction: The case of multiple orbitals and multiple electronic states
year cv	2016	2016
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4959604
first author cv	Dou	Dou

Citations

OpenAlex: none
Scholar: 42
DOI: 10.1063/1.4959604

Match decisions

fingerprint merged · 1.00 · Run 18

2016 An assessment of mean-field mixed semiclassical approaches: equilibrium populations and algorithm stability The Journal of Chemical Physics article journal CV OA GS

CV span

lines 924–927 · CV · published

92466. N. Bellonzi, A. Jain and J. E. Subotnik. "An assessment of mean-field mixed semiclassical925approaches: equilibrium populations and algorithm stability"926J. Chem. Phys. 144, 154110 (2016)927http://dx.doi.org/10.1063/1.4946810

Institution fields

Peer reviewed: yes
First author: Bellonzi
Co-authors: N. Bellonzi; A. Jain; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	An assessment of mean-field mixed semiclassical approaches: equilibrium populations and algorithm stability	An assessment of mean-field mixed semiclassical approaches: Equilibrium populations and algorithm stability
year cv	2016	2016
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4946810
first author cv	Bellonzi	Bellonzi

Citations

OpenAlex: none
Scholar: 73
DOI: 10.1063/1.4946810

Match decisions

fingerprint merged · 1.00 · Run 18

2016 An Efficient, Augmented Surface Hopping Algorithm That Includes Decoherence for Use in Large-Scale Simulations Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 892–895 · CV · published

89272. A. Jain, E. Alguire, and J. E. Subotnik. "An Efficient, Augmented Surface Hopping893Algorithm That Includes Decoherence for Use in Large-Scale Simulations"894J. Chem. Theory Comp., 12, 5256-5268 (2016)895http://dx.doi.org/10.1021/acs.jctc.6b00673

Institution fields

Peer reviewed: yes
First author: Jain
Co-authors: A. Jain; E. Alguire; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	An Efficient, Augmented Surface Hopping Algorithm That Includes Decoherence for Use in Large-Scale Simulations	An efficient, augmented surface hopping algorithm that includes decoherence for use in large-scale simulations
year cv	2016	2016
venue crossref	J. Chem. Theory Comp.	Journal of chemical theory and computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI cv	10.1021/acs.jctc.6b00673
first author cv	Jain	Jain

Citations

OpenAlex: none
Scholar: 183
DOI: 10.1021/acs.jctc.6b00673

Match decisions

fingerprint merged · 1.00 · Run 18

2016 Comparison between GW and Wave-Function-Based Approaches: Calculating the Ionization Potential and Electron Affinity for 1D Hubbard Chains. The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 913–917 · CV · published

91368. Q. Ou and J.E. Subotnik. "Comparison between GW and Wave-Function-Based914Approaches: Calculating the Ionization Potential and Electron Affinity for 1D Hubbard915Chains."916J. Phys. Chem. A. 120, 4514-4525 (2016)917http://dx.doi.org/10.1021/acs.jpca.6b03294

Institution fields

Peer reviewed: yes
First author: Ou
Co-authors: Q. Ou; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Comparison between GW and Wave-Function-Based Approaches: Calculating the Ionization Potential and Electron Affinity for 1D Hubbard Chains.	Comparison between GW and Wave-Function-Based Approaches: Calculating the Ionization Potential and Electron Affinity for 1D Hubbard Chains
year cv	2016	2016
venue crossref	J. Phys. Chem. A.	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI cv	10.1021/acs.jpca.6b03294
first author cv	Ou	Ou

Citations

OpenAlex: none
Scholar: 13
DOI: 10.1021/acs.jpca.6b03294

Match decisions

fingerprint merged · 1.00 · Run 18

2016 Detailed balance and nonadiabatic dynamics ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Detailed balance and nonadiabatic dynamics
year scholar			2016
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Bellonzi

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2016 Direct Observation of Electron-Phonon Coupling and Slow Vibrational Relaxation in Organic- Inorganic Hybrid Perovskites Journal of the American Chemical Society version 2017 Direct Observation of Electron-Phonon Coupling and Slow Vibrational Relaxation in Organic… article journal CV OA GS

CV span

lines 886–890 · CV · published

88673. D. B. Straus, S. H. Parra, N. Iotov, J. Gebhardt, A. M. Rappe, J. E. Subotnik, J. M.887Kikkawa, and C. R. Kagan. "Direct Observation of Electron-Phonon Coupling and Slow888Vibrational Relaxation in Organic- Inorganic Hybrid Perovskites"889JACS Comm. 138, 13798-13801 (2016)890http://dx.doi.org/10.1021/jacs.6b08175

Institution fields

Peer reviewed: yes
First author: Straus
Co-authors: D. B. Straus; S. H. Parra; N. Iotov; J. Gebhardt; A. M. Rappe; J. E. Subotnik; J. M. Kikkawa; C. R. Kagan
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Direct Observation of Electron-Phonon Coupling and Slow Vibrational Relaxation in Organic- Inorganic Hybrid Perovskites	Direct observation of electron–phonon coupling and slow vibrational relaxation in organic–inorganic hybrid perovskites
year cv	2016	2016
venue crossref	JACS Comm.	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	other
DOI cv	10.1021/jacs.6b08175
first author cv	Straus	Straus

Citations

OpenAlex: none
Scholar: 325
DOI: 10.1021/jacs.6b08175

Match decisions

fingerprint merged · 1.00 · Run 18

2016 Dynamics of Barrier Crossings for the Generalized Anderson Holstein Model: Beyond Electronic Friction and Conventional Surface Hopping Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 897–901 · CV · published

89771. W. Ouyang, W. Dou, A. Jain and J.E. Subotnik. "Dynamics of Barrier Crossings for the898Generalized Anderson Holstein Model: Beyond Electronic Friction and Conventional899Surface Hopping900J. Chem. Theor. Comp. 12, 4178-4183 (2016)901http://dx.doi.org/10.1021/acs.jctc.6b00533

Institution fields

Peer reviewed: yes
First author: Ouyang
Co-authors: W. Ouyang; W. Dou; A. Jain; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Dynamics of Barrier Crossings for the Generalized Anderson Holstein Model: Beyond Electronic Friction and Conventional Surface Hopping	Dynamics of barrier crossings for the generalized Anderson–Holstein model: Beyond electronic friction and conventional surface hopping
year cv	2016	2016
venue crossref	J. Chem. Theor. Comp.	Journal of chemical theory and computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI cv	10.1021/acs.jctc.6b00533
first author cv	Ouyang	Ouyang

Citations

OpenAlex: none
Scholar: 25
DOI: 10.1021/acs.jctc.6b00533

Match decisions

fingerprint merged · 1.00 · Run 18

2016 Electronic friction near metal surfaces: a case where molecule-metal couplings depend on nuclear coordinates. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 908–911 · CV · published

90869. W. Dou and J.E. Subotnik. "Electronic friction near metal surfaces: a case where molecule-909metal couplings depend on nuclear coordinates."910J. Chem. Phys. 146, 092304 (2016)911https://dx.doi.org/10.1063/1.4965823

Institution fields

Peer reviewed: yes
First author: Dou
Co-authors: W. Dou; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Electronic friction near metal surfaces: a case where molecule-metal couplings depend on nuclear coordinates.	Electronic friction near metal surfaces: A case where molecule-metal couplings depend on nuclear coordinates
year cv	2016	2017
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4965823
first author cv	Dou	Dou

Citations

OpenAlex: none
Scholar: 55
DOI: 10.1063/1.4965823

Match decisions

fingerprint merged · 1.00 · Run 18

2016 Friction near metal surfaces ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Friction near metal surfaces
year scholar			2016
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Dou

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2016 GW versus wavefunction approaches ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			GW versus wavefunction approaches
year scholar			2016
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Ou

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2016 Mixed semi-classical approaches to nonadiabatic dynamics: Capturing detailed balance ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Mixed semi-classical approaches to nonadiabatic dynamics: Capturing detailed balance
year scholar			2016
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Bellonzi

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2016 Molecular Electronic States Near Metal Surfaces at Equilibrium Using Potential of Mean Force and Numerical Renormalization Group Methods: Hysteresis Revisited. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 929–933 · CV · published

92965. W. Dou, A. Nitzan, and J.E. Subotnik. "Molecular electronic states near metal surfaces at930equilibrium using potential of mean force and numerical renormalization group931methods: Hysteresis revisited."932J. Chem. Phys. 144, 074109 (2016)933http://dx.doi.org/10.1063/1.4941848

Institution fields

Peer reviewed: yes
First author: Dou
Co-authors: W. Dou; A. Nitzan; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Molecular electronic states near metal surfaces at equilibrium using potential of mean force and numerical renormalization group methods: Hysteresis revisited.Molecular Electronic States Near Metal Surfaces at Equilibrium Using Potential of Mean Force and Numerical Renormalization Group Methods: Hysteresis Revisited.	Molecular electronic states near metal surfaces at equilibrium using potential of mean force and numerical renormalization group methods: Hysteresis revisited	Molecular electronic states near metal surfaces at equilibrium using potential of mean force and numerical renormalization group methods: Hysteresis revisited
year cv	20162016	2016	2016
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	articlearticle	article	other
DOI cv	10.1063/1.4941848	10.1063/1.4941848
first author openalex	Dou	Dou	Dou

Citations

OpenAlex: 17
Scholar: 23
DOI: 10.1063/1.4941848
OpenAlex: W2286994329

Match decisions

fingerprint merged · 1.00 · Run 18

2016 Photoexcited Nuclear Dynamics with Ab Initio Electronic Structure Theory: Is TD-DFT Ready For the Challenge? APS March Meeting Abstracts 2016, C31 article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Photoexcited Nuclear Dynamics with Ab Initio Electronic Structure Theory: Is TD-DFT Ready For the Challenge?
year scholar			2016
venue scholar			APS March Meeting Abstracts
kind scholar			other
first author scholar			Subotnik

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2016 Rate constants and surface hopping ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Rate constants and surface hopping
year scholar			2016
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Jain

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2016 Understanding The Surface Hopping View of Electronic Transitions and Decoherence Annual Review of Physical Chemistry article journal CV OA GS

CV span

lines 919–922 · CV · published

91967. J. E. Subotnik, A. Jain, B. Landry, A. Petit, W. Ouyang and N. Bellonzi. "Understanding920The Surface Hopping View of Electronic Transitions and Decoherence"921Ann. Rev. Phys. Chem., 67, 387-417 (2016)922http://dx.doi.org/10.1146/annurev-physchem-040215-112245

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: J. E. Subotnik; A. Jain; B. Landry; A. Petit; W. Ouyang; N. Bellonzi
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Understanding The Surface Hopping View of Electronic Transitions and Decoherence	Understanding the surface hopping view of electronic transitions and decoherence
year cv	2016	2016
venue crossref	Ann. Rev. Phys. Chem.	Annual review of physical chemistry	Annual Review of Physical Chemistry
kind cv	article	other
DOI cv	10.1146/annurev-physchem-040215-112245
first author cv	Subotnik	Subotnik

Citations

OpenAlex: none
Scholar: 547
DOI: 10.1146/annurev-physchem-040215-112245

Match decisions

fingerprint merged · 1.00 · Run 18

2015 Advances in molecular quantum chemistry contained in the Q-Chem 4 program package. Molecular Physics article journal CV OA GS

CV span

lines 1018–1021 · CV · published

101848. Y. Shao, et al. "Advances in molecular quantum chemistry contained in the Q-Chem 41019program package."1020Mol. Phys. 113, 184-215 (2015)1021http://dx.doi.org/10.1080/00268976.2014.952696

Institution fields

Peer reviewed: yes
First author: Shao
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Advances in molecular quantum chemistry contained in the Q-Chem 4 program package.	Advances in molecular quantum chemistry contained in the Q-Chem 4 program package	Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
year cv	2015	2014	2015
venue crossref	Mol. Phys.	Molecular Physics	Molecular Physics	Molecular Physics
kind cv	article	article	other
DOI cv	10.1080/00268976.2014.952696	10.1080/00268976.2014.952696
first author openalex	Shao	Shao	Shao

Citations

OpenAlex: 3171
Scholar: 3613
DOI: 10.1080/00268976.2014.952696
OpenAlex: W2026172453

Match decisions

fingerprint merged · 1.00 · Run 18

2015 Appraisal of Surface Hopping as a Tool for Modeling Condensed Phase Linear Absorption Spectra. Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 961–964 · CV · published

96159. A. S. Petit and J.E. Subotnik. "Appraisal of Surface Hopping as a Tool for Modeling962Condensed Phase Linear Absorption Spectra."963J. Chem. Theor. Comp., 11, 4328-4341 (2015)964http://dx.doi.org/10.1021/acs.jctc.5b00510

Institution fields

Peer reviewed: yes
First author: Petit
Co-authors: A. S. Petit; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Appraisal of Surface Hopping as a Tool for Modeling Condensed Phase Linear Absorption Spectra.	Appraisal of surface hopping as a tool for modeling condensed phase linear absorption spectra
year cv	2015	2015
venue crossref	J. Chem. Theor. Comp.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI cv	10.1021/acs.jctc.5b00510
first author cv	Petit	Petit

Citations

OpenAlex: none
Scholar: 32
DOI: 10.1021/acs.jctc.5b00510

Match decisions

fingerprint merged · 1.00 · Run 18

2015 A Surface Hopping View of Electrochemistry: Non-Equilibrium Electronic Transport through an Ionic Solution with a Classical Master Equation The Journal of Physical Chemistry C article journal CV OA GS

CV span

lines 955–959 · CV · published

95560. W. Ouyang, J. Saven, and J. E. Subotnik. "A Surface Hopping View of Electrochemistry:956Non-Equilibrium Electronic Transport through an Ionic Solution with a Classical Master957Equation"958J. Phys. Chem. C., 119, 20833-20844 (2015)959http://dx.doi.org/10.1021/acs.jpcc.5b06655

Institution fields

Peer reviewed: yes
First author: Ouyang
Co-authors: W. Ouyang; J. Saven; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A Surface Hopping View of Electrochemistry: Non-Equilibrium Electronic Transport through an Ionic Solution with a Classical Master Equation	A surface hopping view of electrochemistry: non-equilibrium electronic transport through an ionic solution with a classical master equation
year cv	2015	2015
venue crossref	J. Phys. Chem. C.	The Journal of Physical Chemistry C	The Journal of Physical Chemistry C
kind cv	article	other
DOI cv	10.1021/acs.jpcc.5b06655
first author cv	Ouyang	Ouyang

Citations

OpenAlex: none
Scholar: 22
DOI: 10.1021/acs.jpcc.5b06655

Match decisions

fingerprint merged · 1.00 · Run 18

2015 Calculating Derivative Couplings between TDHF Excited States with Pseudo-Wavefunctions The Journal of Physical Chemistry B article journal CV OA GS needs review

CV span

lines 1038–1041 · CV · published

103844. E. Alguire, Q. Ou., and J. E. Subotnik "Calculating Derivative Couplings between TDHF1039Excited States with Pseudo-Wavefunctions",1040J. Phys. Chem. B. 119, 7140-7149 (2015)1041http://dx.doi.org/10.1021/jp5057682

Institution fields

Peer reviewed: yes
First author: Alguire
Co-authors: E. Alguire; Q. Ou.; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Calculating Derivative Couplings between TDHF Excited States with Pseudo-Wavefunctions	Calculating derivative couplings between time-dependent Hartree–Fock excited states with pseudo-wavefunctions
year cv	2015	2015
venue crossref	J. Phys. Chem. B.	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	other
DOI cv	10.1021/jp5057682
first author cv	Alguire	Alguire

Citations

OpenAlex: none
Scholar: 51
DOI: 10.1021/jp5057682

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
fingerprint merged · 1.00 · Run 18

2015 Current view of surface hopping ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Current view of surface hopping
year scholar			2015
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Subotnik

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2015 Derivative Couplings between TD-DFT Excited States in the Random-Phase Approximation Based on Pseudo-Wavefunctions: Behavior around Conical Intersections J. Phys. Chem. B. article journal CV OA GS needs review

CV span

lines 1043–1047 · CV · published

104343. Q. Ou., E. Alguire, and J. E. Subotnik " Derivative Couplings between TD-DFT Excited1044States in the Random-Phase Approximation Based on Pseudo-Wavefunctions: Behavior1045around Conical Intersections",1046J. Phys. Chem. B. 119, 7150-7161 (2015)1047http://dx.doi.org/10.1021/jp505767b

Institution fields

Peer reviewed: yes
First author: Ou.
Co-authors: Q. Ou.; E. Alguire; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Derivative Couplings between TD-DFT Excited States in the Random-Phase Approximation Based on Pseudo-Wavefunctions: Behavior around Conical Intersections	Derivative couplings between time-dependent density functional theory excited states in the random-phase approximation based on pseudo-wavefunctions: Behavior around conical …
year cv	2015	2015
venue cv	J. Phys. Chem. B.	The Journal of Physical Chemistry B
kind cv	article	other
DOI cv	10.1021/jp505767b
first author cv	Ou.	Ou

Citations

OpenAlex: none
Scholar: 65
DOI: 10.1021/jp505767b

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
fingerprint merged · 1.00 · Run 18

2015 Does Nonadiabatic Transition State Theory Make Sense Without Decoherence? The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 940–943 · CV · published

94063. A. Jain and J. E. Subotnik. "Does Nonadiabatic Transition State Theory Make Sense941Without Decoherence?"942J. Phys. Chem. Lett. 6, 4809-4814 (2015)943http://dx.doi.org/ 10.1021/acs.jpclett.5b02148

Institution fields

Peer reviewed: yes
First author: Jain
Co-authors: A. Jain; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Does Nonadiabatic Transition State Theory Make Sense Without Decoherence?	Does nonadiabatic transition state theory make sense without decoherence?
year cv	2015	2015
venue crossref	J. Phys. Chem. Lett.	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	article	other
DOI cv	10.1021/acs.jpclett.5b02148
first author cv	Jain	Jain

Citations

OpenAlex: none
Scholar: 30
DOI: 10.1021/acs.jpclett.5b02148

Match decisions

fingerprint merged · 1.00 · Run 18

2015 Exploring Non-Condon Effects in a Covalent Tetracene Dimer: How Important Are Vibrations in Determining the Electronic Coupling for Singlet Fission? The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 1006–1010 · CV · published

100650. E. Alguire, J. E. Subotnik, N. Damrauer, "Exploring Non-Condon Effects in a Covalent1007Tetracene Dimer: How Important Are Vibrations in Determining the Electronic Coupling for1008Singlet Fission?"1009J. Phys. Chem. A.,119, 299-311 (2015)1010http://dx.doi.org/10.1021/jp510777c

Institution fields

Peer reviewed: yes
First author: Alguire
Co-authors: E. Alguire; J. E. Subotnik; N. Damrauer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Exploring Non-Condon Effects in a Covalent Tetracene Dimer: How Important Are Vibrations in Determining the Electronic Coupling for Singlet Fission?	Exploring non-Condon effects in a covalent tetracene dimer: how important are vibrations in determining the electronic coupling for singlet fission?
year cv	2015	2015
venue crossref	J. Phys. Chem. A.	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI cv	10.1021/jp510777c
first author cv	Alguire	Alguire

Citations

OpenAlex: none
Scholar: 86
DOI: 10.1021/jp510777c

Match decisions

fingerprint merged · 1.00 · Run 18

2015 First-order derivative couplings between excited states from adiabatic TDDFT response theory. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 996–1000 · CV · published

99652. Q. Ou, G. Bellchambers, F. Furche, and J. E. Subotnik, "First-order derivative couplings997between excited states from adiabatic TDDFT response theory."998J. Chem. Phys.,142, 064114 (2015)999*JCP Editors' Choice (2015)1000http://dx.doi.org/10.1063/1.4906941

Institution fields

Peer reviewed: yes
First author: Ou
Co-authors: Q. Ou; G. Bellchambers; F. Furche; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	First-order derivative couplings between excited states from adiabatic TDDFT response theory.	First-order derivative couplings between excited states from adiabatic TDDFT response theory
year cv	2015	2015
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4906941
first author cv	Ou	Ou

Citations

OpenAlex: none
Scholar: 127
DOI: 10.1063/1.4906941

Match decisions

fingerprint merged · 1.00 · Run 18

2015 Frictional effects near a metal surface The Journal of Chemical Physics article journal CV OA GS

CV span

lines 966–968 · CV · published

96658. W. Dou, A. Nitzan, and J.E. Subotnik. "Frictional effects near a metal surface."967J. Chem. Phys., 143, 054103 (2015)968http://dx.doi.org/10.1063/1.4927237

Institution fields

Peer reviewed: yes
First author: Dou
Co-authors: W. Dou; A. Nitzan; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Frictional effects near a metal surface.Frictional effects near a metal surface	Frictional effects near a metal surface	Frictional effects near a metal surface
year cv	20152015	2015	2015
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	articlearticle	article	other
DOI cv	10.1063/1.4927237	10.1063/1.4927237
first author openalex	Dou	Dou	Dou

Citations

OpenAlex: 61
Scholar: 73
DOI: 10.1063/1.4927237
OpenAlex: W1607131250

Match decisions

fingerprint merged · 1.00 · Run 18

2015 Improving electronic excitation energies and couplings ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Improving electronic excitation energies and couplings
year scholar			2015
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Subotnik

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2015 Intuitive understanding of electronic relaxation in molecules ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Intuitive understanding of electronic relaxation in molecules
year scholar			2015
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Subotnik

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2015 Molecular Excited States: Accurate Calculation of Relative Energies and Electronic Coupling Between Charge Transfer and Non-Charge Transfer States. The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 1012–1016 · CV · published

101249. B. Veldkamp, X. Liu, M. Wasielewski, J. E. Subotnik and M. A. Ratner, "Molecular1013Excited States: Accurate Calculation of Relative Energies and Electronic Coupling Between1014Charge Transfer and Non-Charge Transfer States."1015J. Phys. Chem. A.,119, 253-262 (2015)1016http://dx.doi.org/10.1021/jp508337x

Institution fields

Peer reviewed: yes
First author: Veldkamp
Co-authors: B. Veldkamp; X. Liu; M. Wasielewski; J. E. Subotnik; M. A. Ratner
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Molecular Excited States: Accurate Calculation of Relative Energies and Electronic Coupling Between Charge Transfer and Non-Charge Transfer States.	Molecular excited states: Accurate calculation of relative energies and electronic coupling between charge transfer and non-charge transfer states
year cv	2015	2015
venue crossref	J. Phys. Chem. A.	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI cv	10.1021/jp508337x
first author cv	Veldkamp	Veldkamp

Citations

OpenAlex: none
Scholar: 16
DOI: 10.1021/jp508337x

Match decisions

fingerprint merged · 1.00 · Run 18

2015 On Surface Hopping and Time-Reversal. The Journal of Physical Chemistry A article journal CV OA GS needs review

CV span

lines 1002–1004 · CV · published

100251. J. E. Subotnik and Y. M. Rhee, "On Surface Hopping and Time-Reversal."1003J. Phys. Chem. A., 119, 990-995 (2015)1004http://dx.doi.org/10.1021/jp512024w

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: J. E. Subotnik; Y. M. Rhee
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	On Surface Hopping and Time-Reversal.	On surface hopping and time-reversal
year cv	2015	2015
venue crossref	J. Phys. Chem. A.	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI cv	10.1021/jp512024w
first author cv	Subotnik	Subotnik

Citations

OpenAlex: none
Scholar: 11
DOI: 10.1021/jp512024w

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
fingerprint merged · 1.00 · Run 18

2015 Surface hopping and spectroscopy ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Surface hopping and spectroscopy
year scholar			2015
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Subotnik

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2015 Surface hopping outperforms secular Redfield theory when reorganization energies range from small to moderate (and nuclei are classical) The Journal of Chemical Physics article journal CV OA GS

CV span

lines 981–984 · CV · published

98155. B. R. Landry and J. E. Subotnik. "Surface hopping outperforms secular Redfield theory982when reorganization energies range from small to moderate (and nuclei are classical)"983J. Chem. Phys., 142, 104102 (2015)984http://dx.doi.org/10.1063/1.4913494

Institution fields

Peer reviewed: yes
First author: Landry
Co-authors: B. R. Landry; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Surface hopping outperforms secular Redfield theory when reorganization energies range from small to moderate (and nuclei are classical)	Surface hopping outperforms secular Redfield theory when reorganization energies range from small to moderate (and nuclei are classical)
year cv	2015	2015
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4913494
first author cv	Landry	Landry

Citations

OpenAlex: none
Scholar: 13
DOI: 10.1063/1.4913494

Match decisions

fingerprint merged · 1.00 · Run 18

2015 Surface hopping, transition state theory and decoherence II: Thermal rate constants and detailed balance. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 945–948 · CV · published

94562. A. Jain and J.E. Subotnik. "Surface hopping, transition state theory and decoherence II:946Thermal rate constants and detailed balance."947J. Chem. Phys. 143, 134107 (2015)948http://dx.doi.org/10.1063/1.4930549

Institution fields

Peer reviewed: yes
First author: Jain
Co-authors: A. Jain; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Surface hopping, transition state theory and decoherence II: Thermal rate constants and detailed balance.	Surface hopping, transition state theory, and decoherence. II. Thermal rate constants and detailed balance
year cv	2015	2015
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4930549
first author cv	Jain	Jain

Citations

OpenAlex: none
Scholar: 93
DOI: 10.1063/1.4930549

Match decisions

fingerprint merged · 1.00 · Run 18

2015 Surface hopping, transition state theory and decoherence I: Scattering theory and time-reversibility. The Journal of Chemical Physics article journal CV OA GS needs review

CV span

lines 950–953 · CV · published

95061. A. Jain, M. F. Herman, W. Ouyang and J. E. Subotnik "Surface hopping, transition state951theory and decoherence I: Scattering theory and time-reversibility."952J. Chem. Phys. 143, 134106 (2015)953http://dx.doi.org/10.1063/1.4930548

Institution fields

Peer reviewed: yes
First author: Jain
Co-authors: A. Jain; M. F. Herman; W. Ouyang; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Surface hopping, transition state theory and decoherence I: Scattering theory and time-reversibility.	Surface hopping, transition state theory and decoherence. I. Scattering theory and time-reversibility
year cv	2015	2015
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4930548
first author cv	Jain	Jain

Citations

OpenAlex: none
Scholar: 33
DOI: 10.1063/1.4930548

Match decisions

passthrough_model_omitted not merged · Run 18 the judge returned no cluster for this group
fingerprint merged · 1.00 · Run 18

2015 Surface hopping with a manifold of electronic states. II. Application to the many- body Anderson-Holstein model The Journal of Chemical Physics article journal CV OA GS

CV span

lines 986–989 · CV · published

98654. W. Dou, A. Nitzan, and J.E. Subotnik "Surface hopping with a manifold of electronic987states. II. Application to the many- body Anderson-Holstein model"988J. Chem. Phys., 142, 084110 (2015)989http://dx.doi.org/10.1063/1.4908034

Institution fields

Peer reviewed: yes
First author: Dou
Co-authors: W. Dou; A. Nitzan; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Surface hopping with a manifold of electronic states. II. Application to the many- body Anderson-Holstein model	Surface hopping with a manifold of electronic states. II. Application to the many-body Anderson-Holstein model	Surface hopping with a manifold of electronic states. II. Application to the many-body Anderson-Holstein model
year cv	2015	2015	2015
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	article	other
DOI cv	10.1063/1.4908034	10.1063/1.4908034
first author openalex	Dou	Dou	Dou

Citations

OpenAlex: 66
Scholar: 73
DOI: 10.1063/1.4908034
OpenAlex: W2081831070

Match decisions

fingerprint merged · 1.00 · Run 18

2015 Surface hopping with a manifold of electronic states. III. Transients, broadening, and the Marcus picture. The Journal of Chemical Physics supplement 2015 Erratum:“Surface hopping with a manifold of electronic states. III. Transients, broadenin… article journal CV OA GS

CV span

lines 970–973 · CV · published

97057. W. Dou, A. Nitzan, and J.E. Subotnik. "Surface hopping with a manifold of electronic971states. III. Transients, broadening, and the Marcus picture."972J. Chem. Phys., 142, 234106 (2015)973http://dx.doi.org/10.1063/1.4922513

Institution fields

Peer reviewed: yes
First author: Dou
Co-authors: W. Dou; A. Nitzan; J.E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Surface hopping with a manifold of electronic states. III. Transients, broadening, and the Marcus picture.	Surface hopping with a manifold of electronic states. III. Transients, broadening, and the Marcus picture	Surface hopping with a manifold of electronic states. III. Transients, broadening, and the Marcus picture
year cv	2015	2015	2015
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	article	other
DOI cv	10.1063/1.4922513	10.1063/1.4922513
first author openalex	Dou	Dou	Dou

Citations

OpenAlex: 57
Scholar: 61
Scholar with related records: 64
DOI: 10.1063/1.4922513
OpenAlex: W1584957312

Match decisions

fingerprint merged · 1.00 · Run 18

2015 Surface hopping with a manifold of electronic states. III. Transients, broadening and the Marcus picture (vol 142, 234106, 2015) JOURNAL OF CHEMICAL PHYSICS article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Surface hopping with a manifold of electronic states. III. Transients, broadening and the Marcus picture (vol 142, 234106, 2015)
year scholar			2015
venue scholar			JOURNAL OF CHEMICAL PHYSICS
kind scholar			other
first author scholar			Dou

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2015 Surface hopping with a manifold of electronic states. I. Incorporating surface-leaking to capture lifetimes. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 991–994 · CV · published

99153. W. Ouyang, W. Dou, and J. E. Subotnik. "Surface hopping with a manifold of electronic992states. I. Incorporating surface-leaking to capture lifetimes."993J. Chem. Phys., 142, 084109 (2015)994http://dx.doi.org/10.1063/1.4908032

Institution fields

Peer reviewed: yes
First author: Ouyang
Co-authors: W. Ouyang; W. Dou; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Surface hopping with a manifold of electronic states. I. Incorporating surface-leaking to capture lifetimes.	Surface hopping with a manifold of electronic states. I. Incorporating surface-leaking to capture lifetimes
year cv	2015	2015
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4908032
first author cv	Ouyang	Ouyang

Citations

OpenAlex: none
Scholar: 51
DOI: 10.1063/1.4908032

Match decisions

fingerprint merged · 1.00 · Run 18

2015 The Requisite Electronic Structure Theory To Describe Photoexcited Nonadiabatic Dynamics: Nonadiabatic Derivative Couplings and Diabatic Electronic Couplings Accounts of Chemical Research article journal CV OA GS

CV span

lines 975–979 · CV · published

97556. J. E. Subotnik, E. C. Alguire, Q. Ou, B. R. Landry, S. Fatehi. "The Requisite Electronic976Structure Theory To Describe Photoexcited Nonadiabatic Dynamics: Nonadiabatic977Derivative Couplings and Diabatic Electronic Couplings"978Acc. Chem. Res. 48, 1340-1350 (2015)979http://dx.doi.org/10.1021/acs.accounts.5b00026

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: J. E. Subotnik; E. C. Alguire; Q. Ou; B. R. Landry; S. Fatehi
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	The Requisite Electronic Structure Theory To Describe Photoexcited Nonadiabatic Dynamics: Nonadiabatic Derivative Couplings and Diabatic Electronic Couplings	The requisite electronic structure theory to describe photoexcited nonadiabatic dynamics: Nonadiabatic derivative couplings and diabatic electronic couplings
year cv	2015	2015
venue crossref	Acc. Chem. Res.	Accounts of chemical research	Accounts of Chemical Research
kind cv	article	other
DOI cv	10.1021/acs.accounts.5b00026
first author cv	Subotnik	Subotnik

Citations

OpenAlex: none
Scholar: 121
DOI: 10.1021/acs.accounts.5b00026

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Analysis of localized diabatic states beyond the condon approximation for excitation energy transfer processes, The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 1077–1080 · CV · published

107737. E. C. Alguire, S. Fatehi, Y. Shao, and J. E. Subotnik, “Analysis of localized diabatic states1078beyond the condon approximation for excitation energy transfer processes,”1079J. Phys. Chem. A, 118, 11891–11900 (2014)1080http://dx.doi.org/10.1021/jp411107k

Institution fields

Peer reviewed: yes
First author: Alguire
Co-authors: E. C. Alguire; S. Fatehi; Y. Shao; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Analysis of localized diabatic states beyond the condon approximation for excitation energy transfer processes,	Analysis of localized diabatic states beyond the Condon approximation for excitation energy transfer processes
year cv	2014	2014
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI cv	10.1021/jp411107k
first author cv	Alguire	Alguire

Citations

OpenAlex: none
Scholar: 10
DOI: 10.1021/jp411107k

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Calculating time-resolved differential absorbance spectra for ultrafast pump-probe experiments with surface hopping trajectories. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1023–1026 · CV · published

102347. A. S. Petit and J. E. Subotnik. "Calculating time-resolved differential absorbance spectra for1024ultrafast pump-probe experiments with surface hopping trajectories."1025J. Chem. Phys. 141, 154108 (2014)1026http://dx.doi.org/10.1063/1.4897258

Institution fields

Peer reviewed: yes
First author: Petit
Co-authors: A. S. Petit; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Calculating time-resolved differential absorbance spectra for ultrafast pump-probe experiments with surface hopping trajectories.	Calculating time-resolved differential absorbance spectra for ultrafast pump-probe experiments with surface hopping trajectories
year cv	2014	2014
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4897258
first author cv	Petit	Petit

Citations

OpenAlex: none
Scholar: 49
DOI: 10.1063/1.4897258

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Can Surface Hopping sans Decoherence Recover Marcus Theory? Understanding the Role of Friction in a Surface Hopping View of Electron Transfer. The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 1066–1070 · CV · published

106639. Falk, Landry and Subotnik. "Can Surface Hopping sans Decoherence Recover Marcus1067Theory? Understanding the Role of Friction in a Surface Hopping View of Electron1068Transfer."1069J. Phys. Chem. B, 118, 8108-8117 (2014)1070http://dx.doi.org/10.1021/jp5011346

Institution fields

Peer reviewed: yes
First author: Falk
Co-authors: Falk; Landry; Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Can Surface Hopping sans Decoherence Recover Marcus Theory? Understanding the Role of Friction in a Surface Hopping View of Electron Transfer.	Can surface hopping sans decoherence recover Marcus theory? Understanding the role of friction in a surface hopping view of electron transfer
year cv	2014	2014
venue crossref	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	other
DOI cv	10.1021/jp5011346
first author cv	Falk	Falk

Citations

OpenAlex: none
Scholar: 35
DOI: 10.1021/jp5011346

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximation. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1049–1052 · CV · published

104942. Q. Ou, S. Fatehi, E. Alguire, Y. Shao and J. E. Subotnik. "Derivative couplings between1050TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff1051approximation." J. Chem. Phys. 141, 024114 (2014)1052http://dx.doi.org/10.1063/1.4887256

Institution fields

Peer reviewed: yes
First author: Ou
Co-authors: Q. Ou; S. Fatehi; E. Alguire; Y. Shao; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximation.	Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximation
year cv	2014	2014
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4887256
first author cv	Ou	Ou

Citations

OpenAlex: none
Scholar: 66
DOI: 10.1063/1.4887256

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Estimating the entropy and quantifying the impurity of a swarm of surface-hopping trajectories: A new perspective on decoherence. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1060–1064 · CV · published

106040. Ouyang and Subotnik. "Estimating the entropy and quantifying the impurity of a swarm of1061surface-hopping trajectories: A new perspective on decoherence."1062J. Chem. Phys. 140, 204102 (2014)1063*JCP Editors' Choice (2014)1064http://dx.doi.org/10.1063/1.4876491

Institution fields

Peer reviewed: yes
First author: Ouyang
Co-authors: Ouyang; Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Estimating the entropy and quantifying the impurity of a swarm of surface-hopping trajectories: A new perspective on decoherence.	Estimating the entropy and quantifying the impurity of a swarm of surface-hopping trajectories: A new perspective on decoherence
year cv	2014	2014
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4876491
first author cv	Ouyang	Ouyang

Citations

OpenAlex: none
Scholar: 19
DOI: 10.1063/1.4876491

Match decisions

fingerprint merged · 1.00 · Run 18

2014 How to calculate linear absorption spectra with lifetime broadening using fewest switches surface hopping trajectories: A simple generalization of ground-state Kubo theory. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1054–1058 · CV · published

105441. A. Petit and J. E. Subotnik. "How to calculate linear absorption spectra with lifetime1055broadening using fewest switches surface hopping trajectories: A simple generalization of1056ground-state Kubo theory."1057J. Chem. Phys, 141, 014107 (2014)1058http://dx.doi.org/10.1063/1.4884945

Institution fields

Peer reviewed: yes
First author: Petit
Co-authors: A. Petit; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	How to calculate linear absorption spectra with lifetime broadening using fewest switches surface hopping trajectories: A simple generalization of ground-state Kubo theory.	How to calculate linear absorption spectra with lifetime broadening using fewest switches surface hopping trajectories: A simple generalization of ground-state Kubo theory
year cv	2014	2014
venue crossref	J. Chem. Phys,	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4884945
first author cv	Petit	Petit

Citations

OpenAlex: none
Scholar: 48
DOI: 10.1063/1.4884945

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Quantifying the Lifetime of Triplet Energy Transfer Processes in Organic Chromophores: A Case Study of 4-(2-Naphthylmethyl)benzaldehyde. Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 1028–1031 · CV · published

102846. B. R. Landry and J. E. Subotnik. "Quantifying the Lifetime of Triplet Energy Transfer1029Processes in Organic Chromophores: A Case Study of 4-(2-Naphthylmethyl)benzaldehyde."1030J. Chem. Theory. Comp., 10, 4253 (2014)1031http://dx.doi.org/10.1021/ct500583d

Institution fields

Peer reviewed: yes
First author: Landry
Co-authors: B. R. Landry; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Quantifying the Lifetime of Triplet Energy Transfer Processes in Organic Chromophores: A Case Study of 4-(2-Naphthylmethyl)benzaldehyde.	Quantifying the lifetime of triplet energy transfer processes in organic chromophores: A case study of 4-(2-naphthylmethyl) benzaldehyde
year cv	2014	2014
venue crossref	J. Chem. Theory. Comp.	Journal of chemical theory and computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI cv	10.1021/ct500583d
first author cv	Landry	Landry

Citations

OpenAlex: none
Scholar: 35
DOI: 10.1021/ct500583d

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Quantum dynamical investigation of the simplest Criegee intermediate CH2OO and its O–O photodissociation channels. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1033–1036 · CV · published

103345. K. Samanta, J. Beames, M. Lester and J. E. Subotnik. "Quantum dynamical investigation of1034the simplest Criegee intermediate CH2OO and its O–O photodissociation channels."1035J. Chem. Phys., 141, 134303 (2014)1036http://dx.doi.org/10.1063/1.4894746

Institution fields

Peer reviewed: yes
First author: Samanta
Co-authors: K. Samanta; J. Beames; M. Lester; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Quantum dynamical investigation of the simplest Criegee intermediate CH2OO and its O–O photodissociation channels.	Quantum dynamical investigation of the simplest Criegee intermediate CH2OO and its O–O photodissociation channels
year cv	2014	2014
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4894746
first author cv	Samanta	Samanta

Citations

OpenAlex: none
Scholar: 66
DOI: 10.1063/1.4894746

Match decisions

fingerprint merged · 1.00 · Run 18

2014 The variationally orbital-adapted configuration interaction singles (VOA-CIS) approach to electronically excited states, Journal of Chemical Theory and Computation supplement 2014 Erratum:“The Variationally Orbital-Adapted Configuration Interaction Singles (VOA-CIS) Ap… article journal CV OA GS

CV span

lines 1072–1075 · CV · published

107238. X. Liu and J. E. Subotnik, “The variationally orbital-adapted configuration interaction1073singles (VOA-CIS) approach to electronically excited states,”1074J. Chem. Theory Comp. 10, 1004-1020 (2014)1075http://dx.doi.org/10.1021/ct4009377

Institution fields

Peer reviewed: yes
First author: Liu
Co-authors: X. Liu; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	The variationally orbital-adapted configuration interaction singles (VOA-CIS) approach to electronically excited states,	The variationally orbital-adapted configuration interaction singles (VOA-CIS) approach to electronically excited states
year cv	2014	2014
venue crossref	J. Chem. Theory Comp.	Journal of chemical theory and computation	Journal of Chemical Theory and Computation
kind cv	article	other
DOI cv	10.1021/ct4009377
first author cv	Liu	Liu

Citations

OpenAlex: none
Scholar: 57
Scholar with related records: 59
DOI: 10.1021/ct4009377

Match decisions

fingerprint merged · 1.00 · Run 18

2013 Can We Derive Tully’s Surface-Hopping Algorithm from the Semiclassical Quantum Liouville Equation? Almost, but only with Decoherence The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1087–1091 · CV · published

108735. J. E. Subotnik, W. Ouyang, and B. R. Landry. "Can We Derive Tully’s Surface-Hopping1088Algorithm from the Semiclassical Quantum Liouville Equation? Almost, but only with1089Decoherence"1090J. Chem. Phys. 139, 214107 (2013)1091http://dx.doi.org/10.1063/1.4829856

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: J. E. Subotnik; W. Ouyang; B. R. Landry
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Can We Derive Tully’s Surface-Hopping Algorithm from the Semiclassical Quantum Liouville Equation? Almost, but only with Decoherence	Can we derive Tully's surface-hopping algorithm from the semiclassical quantum Liouville equation? Almost, but only with decoherence
year cv	2013	2013
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4829856
first author cv	Subotnik	Subotnik

Citations

OpenAlex: none
Scholar: 250
DOI: 10.1063/1.4829856

Match decisions

fingerprint merged · 1.00 · Run 18

2013 Communication: An Inexpensive, Variational, Almost Black-Box, Almost Size-Consistent, Correction to Configuration Interaction Singles for Valence Excited States. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1104–1109 · CV · published

110432. X. Liu, Q. Ou, E. Alguire and J. E. Subotnik. "Communication: An Inexpensive, Variational,1105Almost Black-Box, Almost Size-Consistent, Correction to Configuration Interaction Singles1106for Valence Excited States."1107J. Chem. Phys., 138, 221105 (2013)1108*(JCP top 20 downloaded, June, 2013)1109http://dx.doi.org/10.1063/1.4809571

Institution fields

Peer reviewed: yes
First author: Liu
Co-authors: X. Liu; Q. Ou; E. Alguire; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Communication: An Inexpensive, Variational, Almost Black-Box, Almost Size-Consistent, Correction to Configuration Interaction Singles for Valence Excited States.	Communication: An inexpensive, variational, almost black-box, almost size-consistent correction to configuration interaction singles for valence excited states
year cv	2013	2013
venue crossref	J. Chem. Phys.,	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4809571
first author cv	Liu	Liu

Citations

OpenAlex: none
Scholar: 25
DOI: 10.1063/1.4809571

Match decisions

fingerprint merged · 1.00 · Run 18

2013 Communication: The correct interpretation of surface hopping trajectories: How to calculate electronic properties The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1082–1085 · CV · published

108236. B. R. Landry, M. J. Falk, and J. E. Subotnik. "Communication: The correct interpretation of1083surface hopping trajectories: How to calculate electronic properties"1084J. Chem. Phys. 139, 211101 (2013)1085http://dx.doi.org/10.1063/1.4837795

Institution fields

Peer reviewed: yes
First author: Landry
Co-authors: B. R. Landry; M. J. Falk; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Communication: The correct interpretation of surface hopping trajectories: How to calculate electronic properties	Communication: The correct interpretation of surface hopping trajectories: How to calculate electronic properties
year cv	2013	2013
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4837795
first author cv	Landry	Landry

Citations

OpenAlex: none
Scholar: 118
DOI: 10.1063/1.4837795

Match decisions

fingerprint merged · 1.00 · Run 18

2013 Comprehensive analytic-gradient theory for localized-diabatic CIS states ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Comprehensive analytic-gradient theory for localized-diabatic CIS states
year scholar			2013
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Fatehi

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2013 Derivative couplings and analytic gradients for diabatic states, with an implementation for Boys-localized configuration-interaction singles The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1099–1102 · CV · published

109933. S. Fatehi, E. Alguire, and J. E. Subotnik. "Derivative couplings and analytic gradients for1100diabatic states, with an implementation for Boys-localized configuration-interaction singles"1101J. Chem. Phys., 139, 124112 (2013)1102http://dx.doi.org/10.1063/1.4820485

Institution fields

Peer reviewed: yes
First author: Fatehi
Co-authors: S. Fatehi; E. Alguire; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Derivative couplings and analytic gradients for diabatic states, with an implementation for Boys-localized configuration-interaction singles	Derivative couplings and analytic gradients for diabatic states, with an implementation for Boys-localized configuration-interaction singles
year cv	2013	2013
venue crossref	J. Chem. Phys.,	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4820485
first author cv	Fatehi	Fatehi

Citations

OpenAlex: none
Scholar: 43
DOI: 10.1063/1.4820485

Match decisions

fingerprint merged · 1.00 · Run 18

2013 Electronic Relaxation in Benzaldehyde evaluated via TD-DFT and Localized Diabatization: Intersystem Crossings, Conical Intersections, and Phosphorescence The Journal of Physical Chemistry C article journal CV OA GS

CV span

lines 1093–1097 · CV · published

109334. Q. Ou and J. E. Subotnik. "Electronic Relaxation in Benzaldehyde evaluated via TD-DFT1094and Localized Diabatization: Intersystem Crossings, Conical Intersections, and1095Phosphorescence"1096J. Phys. Chem. C., 117, 19839-19849 (2013)1097http://dx.doi.org/10.1021/jp405574q

Institution fields

Peer reviewed: yes
First author: Ou
Co-authors: Q. Ou; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Electronic Relaxation in Benzaldehyde evaluated via TD-DFT and Localized Diabatization: Intersystem Crossings, Conical Intersections, and Phosphorescence	Electronic relaxation in benzaldehyde evaluated via TD-DFT and localized diabatization: Intersystem crossings, conical intersections, and phosphorescence
year cv	2013	2013
venue crossref	J. Phys. Chem. C.	The Journal of Physical Chemistry C	The Journal of Physical Chemistry C
kind cv	article	other
DOI cv	10.1021/jp405574q
first author cv	Ou	Ou

Citations

OpenAlex: none
Scholar: 99
DOI: 10.1021/jp405574q

Match decisions

fingerprint merged · 1.00 · Run 18

2012 Communication: Adjusting charge transfer state energies for configuration interaction singles: Without any parameterization and with minimal cost. J. Chem. Phys. article journal CV OA GS

CV span

lines 1125–1129 · CV · published

112528. X. Liu, S. Fatehi, Y. Shao, B. Veldkamp, J. E. Subotnik "Communication: Adjusting charge1126transfer state energies for configuration interaction singles: Without any parameterization and1127with minimal cost."1128J. Chem. Phys. 136, 161101 (2012)1129http://dx.doi.org/10.1063/1.47505757

Institution fields

Peer reviewed: yes
First author: Liu
Co-authors: X. Liu; S. Fatehi; Y. Shao; B. Veldkamp; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Communication: Adjusting charge transfer state energies for configuration interaction singles: Without any parameterization and with minimal cost.	Communication: Adjusting charge transfer state energies for configuration interaction singles: Without any parameterization and with minimal cost
year cv	2012	2012
venue cv	J. Chem. Phys.	The Journal of chemical physics
kind cv	article	other
DOI cv	10.1063/1.47505757
first author cv	Liu	Liu

Citations

OpenAlex: none
Scholar: 43
DOI: 10.1063/1.47505757

Match decisions

fingerprint merged · 1.00 · Run 18

2012 Derivative couplings made more physical-and cheaper ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Derivative couplings made more physical-and cheaper
year scholar			2012
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Fatehi

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2012 Derivative Couplings with Built-In Electron-Translation Factors: Application to Benzene. The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 1120–1123 · CV · published

112029. S. Fatehi and Subotnik. "Derivative Couplings with Built-In Electron-Translation Factors:1121Application to Benzene."1122J. Phys. Chem. Lett., 3, 2039 (2012)1123http://dx.doi.org/10.1021/jz3006173

Institution fields

Peer reviewed: yes
First author: Fatehi
Co-authors: S. Fatehi; Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Derivative Couplings with Built-In Electron-Translation Factors: Application to Benzene.	Derivative couplings with built-in electron-translation factors: Application to benzene
year cv	2012	2012
venue crossref	J. Phys. Chem. Lett.,	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind cv	article	other
DOI cv	10.1021/jz3006173
first author cv	Fatehi	Fatehi

Citations

OpenAlex: none
Scholar: 46
DOI: 10.1021/jz3006173

Match decisions

fingerprint merged · 1.00 · Run 18

2012 How to recover Marcus theory with fewest switches surface hopping: Add just a touch of decoherence. The Journal of Chemical Physics supplement 2012 Erratum:" How to recover Marcus theory with fewest switches surface hopping: Add just a t… article journal CV OA GS

CV span

lines 1115–1118 · CV · published

111530. B. Landry and J. E. Subotnik. "How to recover Marcus theory with fewest switches surface1116hopping: Add just a touch of decoherence."1117J. Chem. Phys. 137, 22A513 (2012)1118http://dx.doi.org/10.1063/1.4733675

Institution fields

Peer reviewed: yes
First author: Landry
Co-authors: B. Landry; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	How to recover Marcus theory with fewest switches surface hopping: Add just a touch of decoherence.	How to recover Marcus theory with fewest switches surface hopping: Add just a touch of decoherence
year cv	2012	2012
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4733675
first author cv	Landry	Landry

Citations

OpenAlex: none
Scholar: 191
Scholar with related records: 193
DOI: 10.1063/1.4733675

Match decisions

fingerprint merged · 1.00 · Run 18

2012 Optimal diabatic states based on solvation parameters. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1111–1113 · CV · published

111131. E. Alguire and J. E. Subotnik. "Optimal diabatic states based on solvation parameters."1112J. Chem. Phys., 137, 194108 (2012)1113http://dx.doi.org/10.1063/1.4766463

Institution fields

Peer reviewed: yes
First author: Alguire
Co-authors: E. Alguire; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Optimal diabatic states based on solvation parameters.	Optimal diabatic states based on solvation parameters
year cv	2012	2012
venue crossref	J. Chem. Phys.,	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.4766463
first author cv	Alguire	Alguire

Citations

OpenAlex: none
Scholar: 16
DOI: 10.1063/1.4766463

Match decisions

fingerprint merged · 1.00 · Run 18

2012 Parameter-free ways to understand decoherence in multiple electronic and nuclear dimensions ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Parameter-free ways to understand decoherence in multiple electronic and nuclear dimensions
year scholar			2012
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Subotnik

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2012 Solving the decoherence problem in mixed quantum-classical dynamics: Recovering Marcus theory with a Tully-style surface hopping method ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Solving the decoherence problem in mixed quantum-classical dynamics: Recovering Marcus theory with a Tully-style surface hopping method
year scholar			2012
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Landry

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2012 Standard surface hopping predicts incorrect scaling for Marcus' golden-rule rate: The need for decoherence ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Standard surface hopping predicts incorrect scaling for Marcus' golden-rule rate: The need for decoherence
year scholar			2012
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Landry

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2012 Surface hopping predicts the incorrect scaling for Marcus's electron transfer rate: A new framework for understanding why decoherence is essential ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Surface hopping predicts the incorrect scaling for Marcus's electron transfer rate: A new framework for understanding why decoherence is essential
year scholar			2012
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Subotnik

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2011 Analytical derivative couplings between configuration-interaction-singles states with built-in electron translation factors for translational invariance. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1137–1141 · CV · published

113726. S. Fatehi, E. Alguire, Y. Shao and J. E. Subotnik “Analytical derivative couplings between1138configuration-interaction-singles states with built-in electron translation factors for1139translational invariance.”1140J. Chem. Phys. 135, 234105 (2011)1141http://dx.doi.org/10.1063/1.3665031

Institution fields

Peer reviewed: yes
First author: Fatehi
Co-authors: S. Fatehi; E. Alguire; Y. Shao; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Analytical derivative couplings between configuration-interaction-singles states with built-in electron translation factors for translational invariance.	Analytic derivative couplings between configuration-interaction-singles states with built-in electron-translation factors for translational invariance
year cv	2011	2011
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.3665031
first author cv	Fatehi	Fatehi

Citations

OpenAlex: none
Scholar: 125
DOI: 10.1063/1.3665031

Match decisions

fingerprint merged · 1.00 · Run 18

2011 A New Approach to Decoherence and Momentum Rescaling in the Surface Hopping Algorithm. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1174–1177 · CV · published

117419. J. E. Subotnik and N. Shenvi “A New Approach to Decoherence and Momentum Rescaling1175in the Surface Hopping Algorithm.”1176J. Chem. Phys. 134, 024105 (2011)1177http://dx.doi.org/10.1063/1.3506779

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: J. E. Subotnik; N. Shenvi
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A New Approach to Decoherence and Momentum Rescaling in the Surface Hopping Algorithm.	A new approach to decoherence and momentum rescaling in the surface hopping algorithm
year cv	2011	2011
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.3506779
first author cv	Subotnik	Subotnik

Citations

OpenAlex: none
Scholar: 357
DOI: 10.1063/1.3506779

Match decisions

fingerprint merged · 1.00 · Run 18

2011 Communication: Configuration Interaction Singles Has a Large Systematic Bias Against Charge-Transfer States. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1147–1151 · CV · published

114724. J. E. Subotnik "Communication: Configuration Interaction Singles Has a Large Systematic1148Bias Against Charge-Transfer States."1149J. Chem. Phys. 135, 071104 (2011)1150*(JCP top 20 downloaded, August, 2011 )1151http://dx.doi.org/10.1063/1.3627152

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Communication: Configuration Interaction Singles Has a Large Systematic Bias Against Charge-Transfer States.	Communication: Configuration interaction singles has a large systematic bias against charge-transfer states
year cv	2011	2011
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.3627152
first author cv	Subotnik	Subotnik

Citations

OpenAlex: none
Scholar: 120
DOI: 10.1063/1.3627152

Match decisions

fingerprint merged · 1.00 · Run 18

2011 Communication: Standard Surface Hopping Predicts Incorrect Scaling for Marcus’ Golden-Rule Rate: The Decoherence Problem Cannot Be Ignored. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1131–1135 · CV · published

113127. B. Landry and J. E. Subotnik "Communication: Standard Surface Hopping Predicts Incorrect1132Scaling for Marcus’ Golden-Rule Rate: The Decoherence Problem Cannot Be Ignored."1133J. Chem. Phys. 135, 191101 (2011)1134*(JCP top 20 downloaded, November, 2011; JCP Editor's Choice, 2011)1135http://dx.doi.org/10.1063/1.3663870

Institution fields

Peer reviewed: yes
First author: Landry
Co-authors: B. Landry; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Communication: Standard Surface Hopping Predicts Incorrect Scaling for Marcus’ Golden-Rule Rate: The Decoherence Problem Cannot Be Ignored.	Communication: Standard surface hopping predicts incorrect scaling for Marcus’ golden-rule rate: The decoherence problem cannot be ignored
year cv	2011	2011
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.3663870
first author cv	Landry	Landry

Citations

OpenAlex: none
Scholar: 151
DOI: 10.1063/1.3663870

Match decisions

fingerprint merged · 1.00 · Run 18

2011 Decoherence and surface hopping: "When can averaging over initial conditions help capture the effects of wave packet separation?" The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1164–1167 · CV · published

116421. J. E. Subotnik and N. Shenvi. Decoherence and surface hopping: "When can averaging over1165initial conditions help capture the effects of wave packet separation?"1166J. Chem. Phys. 134, 244114 (2011)1167http://dx.doi.org/10.1063/1.3603448

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: J. E. Subotnik; N. Shenvi
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Decoherence and surface hopping: "When can averaging over initial conditions help capture the effects of wave packet separation?"	Decoherence and surface hopping: When can averaging over initial conditions help capture the effects of wave packet separation?
year cv	2011	2011
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.3603448
first author cv	Subotnik	Subotnik

Citations

OpenAlex: none
Scholar: 111
DOI: 10.1063/1.3603448

Match decisions

fingerprint merged · 1.00 · Run 18

2011 Diabatic couplings for charge recombination via Boys localization and spin-ﬂip conﬁguration interaction singles. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1153–1156 · CV · published

115323. E. Alguire and J. E. Subotnik. "Diabatic couplings for charge recombination via Boys1154localization and spin-ﬂip conﬁguration interaction singles."1155J. Chem. Phys. 135, 044114 (2011)1156http://dx.doi.org/10.1063/1.3615493

Institution fields

Peer reviewed: yes
First author: Alguire
Co-authors: E. Alguire; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Diabatic couplings for charge recombination via Boys localization and spin-ﬂip conﬁguration interaction singles.	Diabatic couplings for charge recombination via Boys localization and spin-flip configuration interaction singles
year cv	2011	2011
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.3615493
first author cv	Alguire	Alguire

Citations

OpenAlex: none
Scholar: 20
DOI: 10.1063/1.3615493

Match decisions

fingerprint merged · 1.00 · Run 18

2011 Fewest Switches Surface Hopping and Decoherence in Multiple Dimensions. The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 1143–1145 · CV · published

114325. J. E. Subotnik "Fewest Switches Surface Hopping and Decoherence in Multiple1144Dimensions." J. Phys. Chem. A. 115, 12083-12096 (2011)1145http://dx.doi.org/10.1021/jp206557h

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Fewest Switches Surface Hopping and Decoherence in Multiple Dimensions.	Fewest-switches surface hopping and decoherence in multiple dimensions
year cv	2011	2011
venue crossref	J. Phys. Chem. A.	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	other
DOI cv	10.1021/jp206557h
first author cv	Subotnik	Subotnik

Citations

OpenAlex: none
Scholar: 94
DOI: 10.1021/jp206557h

Match decisions

fingerprint merged · 1.00 · Run 18

2011 Molecular conduction and reduced density matrices ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Molecular conduction and reduced density matrices
year scholar			2011
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Subotnik

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2011 Phase-corrected surface hopping: Correcting the phase evolution of the electronic wavefunction. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1158–1162 · CV · published

115822. N. Shenvi, J. E. Subotnik and W. T. Yang. "Phase-corrected surface hopping: Correcting1159the phase evolution of the electronic wavefunction."1160J. Chem. Phys. 135, 024101 (2011)1161*(JCP top 20 downloaded, July, 2011)1162http://dx.doi.org/10.1063/1.3603447

Institution fields

Peer reviewed: yes
First author: Shenvi
Co-authors: N. Shenvi; J. E. Subotnik; W. T. Yang
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Phase-corrected surface hopping: Correcting the phase evolution of the electronic wavefunction.	Phase-corrected surface hopping: Correcting the phase evolution of the electronic wavefunction
year cv	2011	2011
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.3603447
first author cv	Shenvi	Shenvi

Citations

OpenAlex: none
Scholar: 132
DOI: 10.1063/1.3603447

Match decisions

fingerprint merged · 1.00 · Run 18

2011 Simultaneous-trajectory surface hopping: a parameter-free algorithm for implementing decoherence in nonadiabatic dynamics. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1169–1172 · CV · published

116920. N. Shenvi, J. E. Subotnik , and W. Yang. “Simultaneous-trajectory surface hopping: a1170parameter-free algorithm for implementing decoherence in nonadiabatic dynamics.”1171J. Chem. Phys. 134, 144102 (2011)1172http://dx.doi.org/10.1063/1.3575588

Institution fields

Peer reviewed: yes
First author: Shenvi
Co-authors: N. Shenvi; J. E. Subotnik; W. Yang
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Simultaneous-trajectory surface hopping: a parameter-free algorithm for implementing decoherence in nonadiabatic dynamics.	Simultaneous-trajectory surface hopping: A parameter-free algorithm for implementing decoherence in nonadiabatic dynamics
year cv	2011	2011
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.3575588
first author cv	Shenvi	Shenvi

Citations

OpenAlex: none
Scholar: 159
DOI: 10.1063/1.3575588

Match decisions

fingerprint merged · 1.00 · Run 18

2010 Augmented Ehrefenst Dynamics Yields a Rate for Surface Hopping. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1185–1188 · CV · published

118517. J. E. Subotnik. “Augmented Ehrefenst Dynamics Yields a Rate for Surface Hopping.”1186J. Chem. Phys. 132, 134112 (2010)1187http://dx.doi.org/10.1063/1.33142481188

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: none
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Augmented Ehrefenst Dynamics Yields a Rate for Surface Hopping.	Augmented Ehrenfest dynamics yields a rate for surface hopping
year cv	2010	2010
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.3314248
first author cv	Subotnik	Subotnik

Citations

OpenAlex: none
Scholar: 103
DOI: 10.1063/1.3314248

Match decisions

fingerprint merged · 1.00 · Run 18

2010 Characterizing the Locality of Diabatic States for Electronic Excitation Transfer By Decomposing the Diabatic Coupling. The Journal of Physical Chemistry C article journal CV OA GS

CV span

lines 1179–1183 · CV · published

117918. J. Vura-Weis, M. D. Newton, M. Wasielewski, and J. E. Subotnik “Characterizing the1180Locality of Diabatic States for Electronic Excitation Transfer By Decomposing the Diabatic1181Coupling.”1182J. Phys. Chem. C , 114, 20449 (2010)1183http://dx.doi.org/10.1021/jp104783r

Institution fields

Peer reviewed: yes
First author: Vura-Weis
Co-authors: J. Vura-Weis; M. D. Newton; M. Wasielewski; J. E. Subotnik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Characterizing the Locality of Diabatic States for Electronic Excitation Transfer By Decomposing the Diabatic Coupling.	Characterizing the locality of diabatic states for electronic excitation transfer by decomposing the diabatic coupling
year cv	2010	2010
venue crossref	J. Phys. Chem. C	The Journal of Physical Chemistry C	The Journal of Physical Chemistry C
kind cv	article	other
DOI cv	10.1021/jp104783r
first author cv	Vura-Weis	Vura-Weis

Citations

OpenAlex: none
Scholar: 47
DOI: 10.1021/jp104783r

Match decisions

fingerprint merged · 1.00 · Run 18

2010 Ghost Transmission: How large basis sets can make electron transport calculations worse. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1190–1193 · CV · published

119016. C. Hermann, G. C. Solomon, J. E. Subotnik, V. Mujica and M. A. Ratner. “Ghost1191Transmission: How large basis sets can make electron transport calculations worse.”1192J. Chem. Phys. 132, 024103 (2010)1193http://dx.doi.org/10.1063/1.3283062

Institution fields

Peer reviewed: yes
First author: Hermann
Co-authors: C. Hermann; G. C. Solomon; J. E. Subotnik; V. Mujica; M. A. Ratner
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Ghost Transmission: How large basis sets can make electron transport calculations worse.	Ghost transmission: How large basis sets can make electron transport calculations worse
year cv	2010	2010
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.3283062
first author cv	Hermann	Herrmann

Citations

OpenAlex: none
Scholar: 131
DOI: 10.1063/1.3283062

Match decisions

fingerprint merged · 1.00 · Run 18

2010 Predicting Accurate Electronic Excitation Transfer Rates via Marcus Theory with Boys or Edmiston-Ruedenberg Localized Diabatization. The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 1195–1199 · CV · published

119515. J. E. Subotnik, J. Vura-Weis, A. Sodt, and M. A. Ratner. “Predicting Accurate Electronic1196Excitation Transfer Rates via Marcus Theory with Boys or Edmiston-Ruedenberg Localized1197Diabatization.”1198J. Phys. Chem. A. 114, 8665 (2010)1199http://dx.doi.org/10.1021/jp101235a

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: J. E. Subotnik; J. Vura-Weis; A. Sodt; M. A. Ratner
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Predicting Accurate Electronic Excitation Transfer Rates via Marcus Theory with Boys or Edmiston-Ruedenberg Localized Diabatization.	Predicting accurate electronic excitation transfer rates via Marcus theory with Boys or Edmiston-Ruedenberg localized diabatization
year cv	2010	2010
venue crossref	J. Phys. Chem. A.	The journal of physical chemistry. A	The Journal of Physical Chemistry A
kind cv	article	other
DOI cv	10.1021/jp101235a
first author cv	Subotnik	Subotnik

Citations

OpenAlex: none
Scholar: 131
DOI: 10.1021/jp101235a

Match decisions

fingerprint merged · 1.00 · Run 18

2009 Nonequilibrium Steady State Transport via the Reduced Density Matrix Operator. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1207–1210 · CV · published

120713. J. E. Subotnik, T. Hansen, M. A. Ratner and A. Nitzan. “Nonequilibrium Steady State1208Transport via the Reduced Density Matrix Operator.”1209J. Chem. Phys. 130, 144105 (2009)1210http://dx.doi.org/10.1063/1.3109898

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: J. E. Subotnik; T. Hansen; M. A. Ratner; A. Nitzan
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Nonequilibrium Steady State Transport via the Reduced Density Matrix Operator.	Nonequilibrium steady state transport via the reduced density matrix operator	Nonequilibrium steady state transport via the reduced density matrix operator
year cv	2009	2009	2009
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	article	other
DOI cv	10.1063/1.3109898	10.1063/1.3109898
first author openalex	Subotnik	Subotnik	Subotnik

Citations

OpenAlex: 67
Scholar: 74
DOI: 10.1063/1.3109898
OpenAlex: W1971182951

Match decisions

fingerprint merged · 1.00 · Run 18

2009 PHYS 465-Constructing diabatic states with Boys localization ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			PHYS 465-Constructing diabatic states with Boys localization
year scholar			2009
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Subotnik

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2009 Probing nonequilibrium steady state transport via the reduced density matrix ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Probing nonequilibrium steady state transport via the reduced density matrix
year scholar			2009
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Subotnik

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2009 The Initial and Final States of Electron and Energy Transfer Processes: Diabatization According to System-Solvent Interactions. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1201–1205 · CV · published

120114. J. E. Subotnik, R. J. Cave, R. P. Steele and N. Shenvi. “The Initial and Final States of1202Electron and Energy Transfer Processes: Diabatization According to System-Solvent1203Interactions.”1204J. Chem. Phys. 130, 234102 (2009)1205http://dx.doi.org/10.1063/1.3148777

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: J. E. Subotnik; R. J. Cave; R. P. Steele; N. Shenvi
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	The Initial and Final States of Electron and Energy Transfer Processes: Diabatization According to System-Solvent Interactions.	The initial and final states of electron and energy transfer processes: Diabatization as motivated by system-solvent interactions
year cv	2009	2009
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.3148777
first author cv	Subotnik	Subotnik

Citations

OpenAlex: none
Scholar: 185
DOI: 10.1063/1.3148777

Match decisions

fingerprint merged · 1.00 · Run 18

2008 Constructing Diabatic States from Adiabatic States: Extending Generalized Mulliken-Hush to Multiple Charge Centers with Boys Localization. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1212–1216 · CV · published

121212. J. E. Subotnik, S. Yeganeh, R. J. Cave, and M. A. Ratner. “Constructing Diabatic States from1213Adiabatic States: Extending Generalized Mulliken-Hush to Multiple Charge Centers with1214Boys Localization.”1215J. Chem. Phys. 129, 244101 (2008)1216http://dx.doi.org/10.1063/1.3042233

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: J. E. Subotnik; S. Yeganeh; R. J. Cave; M. A. Ratner
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Constructing Diabatic States from Adiabatic States: Extending Generalized Mulliken-Hush to Multiple Charge Centers with Boys Localization.	Constructing diabatic states from adiabatic states: Extending generalized Mulliken–Hush to multiple charge centers with Boys localization
year cv	2008	2008
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.3042233
first author cv	Subotnik	Subotnik

Citations

OpenAlex: none
Scholar: 329
DOI: 10.1063/1.3042233

Match decisions

fingerprint merged · 1.00 · Run 18

2008 Exploring The Accuracy of Relative Molecular Energies With Local Correlation Theory. Journal of Physics: Condensed Matter article journal CV OA GS

CV span

lines 1224–1227 · CV · published

122410. J. E. Subotnik and M. Head-Gordon. “Exploring The Accuracy of Relative Molecular1225Energies With Local Correlation Theory.”1226J. Phys: Cond. Matter, 20, 294211 (2008)1227http://dx.doi.org/10.1088/0953-8984/20/29/294211

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: J. E. Subotnik; M. Head-Gordon
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Exploring The Accuracy of Relative Molecular Energies With Local Correlation Theory.	Exploring the accuracy of relative molecular energies with local correlation theory
year cv	2008	2008
venue crossref	J. Phys: Cond. Matter	Journal of Physics: Condensed Matter	Journal of Physics: Condensed Matter
kind cv	article	other
DOI cv	10.1088/0953-8984/20/29/294211
first author cv	Subotnik	Subotnik

Citations

OpenAlex: none
Scholar: 14
DOI: 10.1088/0953-8984/20/29/294211

Match decisions

fingerprint merged · 1.00 · Run 18

2008 Multibody Scattering, Correlation, Molecular Conduction and the 0.7 Anomaly The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1218–1221 · CV · published

121811. J. E. Subotnik and A. Nitzan. “Multibody Scattering, Correlation, Molecular Conduction and1219the 0.7 Anomaly.”1220J. Chem. Phys. 129, 144107 (2008)1221http://dx.doi.org/10.1063/1.2988495

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: J. E. Subotnik; A. Nitzan
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Multibody Scattering, Correlation, Molecular Conduction and the 0.7 Anomaly.Multibody Scattering, Correlation, Molecular Conduction and the 0.7 Anomaly	Multibody scattering, correlation, molecular conduction, and the 0.7 anomaly	Multibody scattering, correlation, molecular conduction, and the 0.7 anomaly
year cv	20082008	2008	2008
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	articlearticle	article	other
DOI cv	10.1063/1.2988495	10.1063/1.2988495
first author openalex	Subotnik	Subotnik	Subotnik

Citations

OpenAlex: 4
Scholar: 7
DOI: 10.1063/1.2988495
OpenAlex: W2113391555

Match decisions

fingerprint merged · 1.00 · Run 18

2008 The Limits of Local Correlation Theory: Electronic Delocalization and Chemically Smooth Potential Energy Surfaces. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1229–1232 · CV · published

12299. J. E. Subotnik, A. Sodt and M. Head-Gordon. “The Limits of Local Correlation Theory:1230Electronic Delocalization and Chemically Smooth Potential Energy Surfaces.”1231J. Chem. Phys. 128, 034103 (2008)1232http://dx.doi.org/10.1063/1.2821124

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: J. E. Subotnik; A. Sodt; M. Head-Gordon
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	The Limits of Local Correlation Theory: Electronic Delocalization and Chemically Smooth Potential Energy Surfaces.	The limits of local correlation theory: Electronic delocalization and chemically smooth potential energy surfaces
year cv	2008	2008
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.2821124
first author cv	Subotnik	Subotnik

Citations

OpenAlex: none
Scholar: 81
DOI: 10.1063/1.2821124

Match decisions

fingerprint merged · 1.00 · Run 18

2007 Localized Orbital Theory and Ammonia Triborane. Physical Chemistry Chemical Physics article journal CV OA GS

CV span

lines 1234–1237 · CV · published

12348. J. E. Subotnik, A. Sodt and M. Head-Gordon. “Localized Orbital Theory and Ammonia1235Triborane.”1236Phys. Chem. Chem. Phys, 9, 5522 (2007)1237http://dx.doi.org/10.1039/b709171k

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: J. E. Subotnik; A. Sodt; M. Head-Gordon
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Localized Orbital Theory and Ammonia Triborane.	Localized orbital theory and ammonia triborane
year cv	2007	2007
venue crossref	Phys. Chem. Chem. Phys	Physical Chemistry Chemical Physics	Physical Chemistry Chemical Physics
kind cv	article	other
DOI cv	10.1039/b709171k
first author cv	Subotnik	Subotnik

Citations

OpenAlex: none
Scholar: 39
DOI: 10.1039/b709171k

Match decisions

fingerprint merged · 1.00 · Run 18

2006 Advances in methods and algorithms in a modern quantum chemistry program package Physical Chemistry Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Advances in methods and algorithms in a modern quantum chemistry program package
year scholar			2006
venue scholar			Physical Chemistry Chemical Physics
kind scholar			other
first author scholar			Shao

Citations

OpenAlex: none
Scholar: 3179

Match decisions

No decision recorded; a single record.

2006 Advances in quantum chemical methods and algorithms in the Q-Chem 3.0 program package Phys. Chem. Chem. Phys article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Advances in quantum chemical methods and algorithms in the Q-Chem 3.0 program package
year scholar			2006
venue scholar			Phys. Chem. Chem. Phys.
kind scholar			other
first author scholar			Shao

Citations

OpenAlex: none
Scholar: 39

Match decisions

No decision recorded; a single record.

2006 A Near Linear Scaling Smooth Coupled Cluster Algorithm For Electronic Structure. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1243–1246 · CV · published

12436. J. E. Subotnik, A. Sodt, and M. Head-Gordon. “A Near Linear Scaling Smooth Coupled1244Cluster Algorithm For Electronic Structure.”1245J. Chem. Phys. 125, 074116 (2006)1246http://dx.doi.org/10.1063/1.2336426

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: J. E. Subotnik; A. Sodt; M. Head-Gordon
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A Near Linear Scaling Smooth Coupled Cluster Algorithm For Electronic Structure.	A near linear-scaling smooth local coupled cluster algorithm for electronic structure
year cv	2006	2006
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.2336426
first author cv	Subotnik	Subotnik

Citations

OpenAlex: none
Scholar: 171
DOI: 10.1063/1.2336426

Match decisions

fingerprint merged · 1.00 · Run 18

2006 Linear Scaling Density Fitting. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1239–1241 · CV · published

12397. A. Sodt, J. E. Subotnik, and M. Head-Gordon “Linear Scaling Density Fitting.”1240J. Chem. Phys. 125, 194109 (2006)1241http://dx.doi.org/10.1063/1.2370949

Institution fields

Peer reviewed: yes
First author: Sodt
Co-authors: A. Sodt; J. E. Subotnik; M. Head-Gordon
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Linear Scaling Density Fitting.	Linear scaling density fitting
year cv	2006	2006
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.2370949
first author cv	Sodt	Sodt

Citations

OpenAlex: none
Scholar: 192
DOI: 10.1063/1.2370949

Match decisions

fingerprint merged · 1.00 · Run 18

2006 PHYS 38-Near linear-scaling smooth local coupled cluster theory for electronic structure and potential use in quantum dynamics ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			PHYS 38-Near linear-scaling smooth local coupled cluster theory for electronic structure and potential use in quantum dynamics
year scholar			2006
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Subotnik

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2006 Q-Chem 3.0: Advances in Methods and Algorithms in a Modern Quantum Chemistry Program Package Phys. Chem. Chem. Phys. article journal CV OA GS

CV span

lines 1248–1251 · CV · published

12485. Y. Shao, et al. “Advances in methods and algorithms in a modern quantum chemistry1249program package.”1250Phys. Chem. Chem. Phys. 8, 3172 (2006)1251http://dx.doi.org/10.1039/B517914A

Institution fields

Peer reviewed: yes
First author: Shao
Co-authors: Y. Shao, et al.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Advances in methods and algorithms in a modern quantum chemistry program package.Q-Chem 3.0: Advances in Methods and Algorithms in a Modern Quantum Chemistry Program Package	Advances in methods and algorithms in a modern quantum chemistry program package	Advances in methods and algorithms in a modern quantum chemistry program package
year cv	20062006	2006	2006
venue crossref	Phys. Chem. Chem. Phys.	Physical Chemistry Chemical Physics	Phys. Chem. Chem. Phys	Phys. Chem. Chem. Phys.
kind cv	articlearticle	article	other
DOI cv	10.1039/b517914a	10.1039/b517914a
first author openalex	Shao	Shao	Herbert

Citations

OpenAlex: 2813
Scholar: 83
Scholar with related records: 3179
DOI: 10.1039/b517914a
OpenAlex: W2120901082

Match decisions

fingerprint merged · 1.00 · Run 18

2005 A local correlation model that yields intrinsically smooth potential-energy surfaces. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1258–1261 · CV · published

12583. J.E. Subotnik, M. Head-Gordon. “A local correlation model that yields intrinsically smooth1259potential-energy surfaces.”1260J. Chem. Phys. 123, 064108 (2005)1261http://dx.doi.org/10.1063/1.2000252

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: J.E. Subotnik; M. Head-Gordon
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A local correlation model that yields intrinsically smooth potential-energy surfaces.	A local correlation model that yields intrinsically smooth potential-energy surfaces
year cv	2005	2005
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.2000252
first author cv	Subotnik	Subotnik

Citations

OpenAlex: none
Scholar: 142
DOI: 10.1063/1.2000252

Match decisions

fingerprint merged · 1.00 · Run 18

2005 A localized basis that allows fast and accurate second order Moller Plesset calculations. The Journal of Chemical Physics version 2005 A localized basis that allows fast and accurate second-order Møller-Plesset calculations article journal CV OA GS

CV span

lines 1263–1266 · CV · published

12632. J. E. Subotnik, M. Head-Gordon. “A localized basis that allows fast and accurate second order1264Moller Plesset calculations.”1265J. Chem. Phys. 122, 034109 (2005)1266http://dx.doi.org/10.1063/1.1834911

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: J. E. Subotnik; M. Head-Gordon
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A localized basis that allows fast and accurate second order Moller Plesset calculations.	A localized basis that allows fast and accurate second order Moller-Plesset
year cv	2005	2004
venue crossref	J. Chem. Phys.		The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.1834911
first author cv	Subotnik	Subotnik

Citations

OpenAlex: none
Scholar: none
Scholar with related records: 53
DOI: 10.1063/1.1834911

Match decisions

fingerprint merged · 1.00 · Run 18

2005 Fast localized orthonormal virtual orbitals that depend smoothly on nuclear coordinates. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1253–1256 · CV · published

12534. J. E. Subotnik, A. D. Dutoi and M. Head-Gordon. “Fast localized orthonormal virtual orbitals1254that depend smoothly on nuclear coordinates.”1255J. Chem. Phys. 123, 114108 (2005)1256http://dx.doi.org/10.1063/1.2033687

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: J. E. Subotnik; A. D. Dutoi; M. Head-Gordon
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Fast localized orthonormal virtual orbitals that depend smoothly on nuclear coordinates.	Fast localized orthonormal virtual orbitals which depend smoothly on nuclear coordinates
year cv	2005	2005
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.2033687
first author cv	Subotnik	Subotnik

Citations

OpenAlex: none
Scholar: 127
DOI: 10.1063/1.2033687

Match decisions

fingerprint merged · 1.00 · Run 18

2004 An efficient method for calculating maxima of homogenous functions of orthogonal matrices. Applications to localized occupied orbitals. The Journal of Chemical Physics article journal CV OA GS

CV span

lines 1268–1272 · CV · published

12681. J. E. Subotnik, Y.Shao, W. Liang, and M. Head-Gordon. “An efficient method for calculating1269maxima of homogenous functions of orthogonal matrices. Applications to localized occupied1270orbitals.”1271J. Chem. Phys. 121, 9220 (2004)1272http://dx.doi.org/10.1063/1.1790971

Institution fields

Peer reviewed: yes
First author: Subotnik
Co-authors: J. E. Subotnik; Y.Shao; W. Liang; M. Head-Gordon
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	An efficient method for calculating maxima of homogenous functions of orthogonal matrices. Applications to localized occupied orbitals.	An efficient method for calculating maxima of homogeneous functions of orthogonal matrices: Applications to localized occupied orbitals
year cv	2004	2004
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI cv	10.1063/1.1790971
first author cv	Subotnik	Subotnik

Citations

OpenAlex: none
Scholar: 83
DOI: 10.1063/1.1790971

Match decisions

fingerprint merged · 1.00 · Run 18

In progress

20 items in progress, under review, forthcoming or a working paper · not counted as publications

2026 A Conceptual Shift In Our Understanding of Degenerate Radical Spin Systems: Spin-Rotation Coupling Turned On Its Head arXiv preprint working paper CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			A Conceptual Shift In Our Understanding of Degenerate Radical Spin Systems: Spin-Rotation Coupling Turned On Its Head
year scholar			2026
venue scholar			arXiv preprint arXiv:2603.13211
kind scholar			other
first author scholar			Peng

Citations

OpenAlex: none
Scholar: 4

Match decisions

No decision recorded; a single record.

2026 A Perspective on Phase Space Electronic Structure Theory: From Its Surface Hopping Origins Through To Its Future Promise arXiv preprint working paper CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			A Perspective on Phase Space Electronic Structure Theory: From Its Surface Hopping Origins Through To Its Future Promise
year scholar			2026
venue scholar			arXiv preprint arXiv:2608.11448
kind scholar			other
first author scholar			Subotnik

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2026 A Phase Space Electronic Structure View of The Solid State arXiv preprint working paper CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			A Phase Space Electronic Structure View of The Solid State
year scholar			2026
venue scholar			arXiv preprint arXiv:2608.06260
kind scholar			other
first author scholar			Bradbury

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2026 Charge Transfer with a Spin. I: A Generalized CASSCF Framework for Investigating Charge Transfer in the Presence of Spin-Orbit Coupling arXiv preprint working paper CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Charge Transfer with a Spin. I: A Generalized CASSCF Framework for Investigating Charge Transfer in the Presence of Spin-Orbit Coupling
year scholar			2026
venue scholar			arXiv preprint arXiv:2602.07746
kind scholar			other
first author scholar			Kumar

Citations

OpenAlex: none
Scholar: 1

Match decisions

No decision recorded; a single record.

2026 Charge Transfer with a Spin. II: A Framework for Diabatization which Localizes Charge and Spin arXiv preprint working paper CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Charge Transfer with a Spin. II: A Framework for Diabatization which Localizes Charge and Spin
year scholar			2026
venue scholar			arXiv preprint arXiv:2602.07750
kind scholar			other
first author scholar			Kumar

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2026 Electronic Structure in a Phase Space, non-Born-Oppenheimer Framework: Geometric Forces and Moody-Shapere-Wilzcek Revisited arXiv preprint working paper CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Electronic Structure in a Phase Space, non-Born-Oppenheimer Framework: Geometric Forces and Moody-Shapere-Wilzcek Revisited
year scholar			2026
venue scholar			arXiv preprint arXiv:2605.27053
kind scholar			other
first author scholar			Bhati

Citations

OpenAlex: none
Scholar: 1

Match decisions

No decision recorded; a single record.

2026 Electron Transfer, Diabatic Couplings and Vibronic Energy Gaps in a Phase Space Framework arXiv e-prints, arXiv working paper CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Electron Transfer, Diabatic Couplings and Vibronic Energy Gaps in a Phase Space Framework
year scholar			2026
venue scholar			arXiv e-prints, arXiv:
kind scholar			other
first author scholar			Zaidi

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2026 Raman spectroscopy at metal interfaces: A numerical study of the strong coupling regime arXiv preprint working paper CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title scholar	Raman spectroscopy at metal interfaces: A numerical study of the strong coupling regime	Raman spectroscopy at metal interfaces: A numerical study of the strong coupling regime
year scholar	2026	2026
venue scholar	arXiv (Cornell University)	arXiv preprint arXiv:2605.27609
kind scholar	working_paper	other
DOI openalex	10.48550/arxiv.2605.27609
preprint DOI	10.48550/arxiv.2605.27609
first author scholar	Zhou	Zhou

Also recorded as

W7162817755 · preprint · 2026

Citations

OpenAlex: 0
Scholar: none
DOI: 10.48550/arxiv.2605.27609
OpenAlex: W7162632002

Match decisions

No decision recorded; a single record.

2025 Non-Resonant Raman Optical Activity As Explored Via Phase-Space Electronic Structure Theory arXiv e-prints, arXiv working paper CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Non-Resonant Raman Optical Activity As Explored Via Phase-Space Electronic Structure Theory
year scholar			2025
venue scholar			arXiv e-prints, arXiv:
kind scholar			other
first author scholar			Tao

Citations

OpenAlex: none
Scholar: 1

Match decisions

No decision recorded; a single record.

2025 Nuclear Angular Momentum Generation in Thermally Driven Chiral Systems arXiv preprint working paper CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title scholar	Nuclear Angular Momentum Generation in Thermally Driven Chiral Systems	Nuclear Angular Momentum Generation in Thermally Driven Chiral Systems
year scholar	2025	2025
venue scholar	arXiv (Cornell University)	arXiv preprint arXiv:2508.06738
kind scholar	working_paper	other
DOI openalex	10.48550/arxiv.2508.06738
preprint DOI	10.48550/arxiv.2508.06738
first author scholar	Feng	Feng

Citations

OpenAlex: 0
Scholar: none
DOI: 10.48550/arxiv.2508.06738
OpenAlex: W4416176727

Match decisions

No decision recorded; a single record.

2024 Angular Momentum Transfer between a Molecular System and a Continuous Circularly Polarized Light Field under the Born-Oppenheimer Framework arXiv preprint working paper CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Angular Momentum Transfer between a Molecular System and a Continuous Circularly Polarized Light Field under the Born-Oppenheimer Framework
year scholar			2024
venue scholar			arXiv preprint arXiv:2403.01284
kind scholar			other
first author scholar			Bian

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2024 A semiclassical non-adiabatic phase-space approach to molecular translations and rotations: A new picture of surface hopping and electronic inertial effects arXiv preprint working paper CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			A semiclassical non-adiabatic phase-space approach to molecular translations and rotations: A new picture of surface hopping and electronic inertial effects
year scholar			2024
venue scholar			arXiv preprint arXiv:2410.01156
kind scholar			other
first author scholar			Bian

Citations

OpenAlex: none
Scholar: 4

Match decisions

No decision recorded; a single record.

2024 Can The Mystery of The Born-Oppenheimer Electronic Current Density Be Explained With A Simple Phase Space Electronic Hamiltonian? Yes (And A Lot More Too) arXiv preprint working paper CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Can The Mystery of The Born-Oppenheimer Electronic Current Density Be Explained With A Simple Phase Space Electronic Hamiltonian? Yes (And A Lot More Too)
year scholar			2024
venue scholar			arXiv preprint arXiv:2407.19257
kind scholar			other
first author scholar			Tao

Citations

OpenAlex: none
Scholar: 2

Match decisions

No decision recorded; a single record.

2024 Kubo-Anderson theory of polariton line shape arXiv working paper CV OA GS needs review

CV span

lines 338–340 · CV · unverified · working_paper

338171. C. Climent, J.E. Subotnik, A. Nitzan339"Kubo-Anderson theory of polariton lineshape"340arXiv preprint arXiv:2310.13860

Institution fields

Peer reviewed: no
First author: Climent
Co-authors: C. Climent; J.E. Subotnik; A. Nitzan
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title scholar	Kubo-Anderson theory of polariton lineshape	Kubo-Anderson theory of polariton line shape
year scholar		2024
venue cv	arXiv	Physical Review A
kind cv	working_paper	other
first author cv	Climent	Climent

Citations

OpenAlex: none
Scholar: 15

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Electron Transfer and Spin-Orbit Coupling: How Strong are Berry Force Effects In and Out of Equilibrium in the Presence of Nuclear Friction? arXiv preprint working paper CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Electron Transfer and Spin-Orbit Coupling: How Strong are Berry Force Effects In and Out of Equilibrium in the Presence of Nuclear Friction?
year scholar			2022
venue scholar			arXiv preprint arXiv:2202.07204
kind scholar			other
first author scholar			Chandran

Citations

OpenAlex: none
Scholar: 2

Match decisions

No decision recorded; a single record.

2020 A protocol for spectroscopists to isolate the effect of berry geometric magnetic forces on molecular dynamics arXiv preprint working paper CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			A protocol for spectroscopists to isolate the effect of berry geometric magnetic forces on molecular dynamics
year scholar			2020
venue scholar			arXiv preprint arXiv:2008.09752
kind scholar			other
first author scholar			Zhou

Citations

OpenAlex: none
Scholar: 2

Match decisions

No decision recorded; a single record.

2020 Atomistic simulation of vibrational polariton enhanced molecular nonlinear absorption arXiv e-prints, arXiv working paper CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Atomistic simulation of vibrational polariton enhanced molecular nonlinear absorption
year scholar			2020
venue scholar			arXiv e-prints, arXiv:
kind scholar			other
first author scholar			Li

Citations

OpenAlex: none
Scholar: 1

Match decisions

No decision recorded; a single record.

2020 Near Total Electronic Spin Separation as Caused by Nuclear Dynamics: Perturbing a Real-Valued Conical Intersection with Complex-Valued Spin-Orbit Coupling arXiv preprint working paper CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Near Total Electronic Spin Separation as Caused by Nuclear Dynamics: Perturbing a Real-Valued Conical Intersection with Complex-Valued Spin-Orbit Coupling
year scholar			2020
venue scholar			arXiv preprint arXiv:2008.02443
kind scholar			other
first author scholar			Wu

Citations

OpenAlex: none
Scholar: 1

Match decisions

No decision recorded; a single record.

2019 Non-adiabatic Dynamics in a Laser Field with Floquet Fewest Switches Surface Hopping: The Need for An Accurate Treatment of Coherence and Decoherence Remains arXiv preprint working paper CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title scholar	Non-adiabatic Dynamics in a Laser Field with Floquet Fewest Switches Surface Hopping: The Need for An Accurate Treatment of Coherence and Decoherence Remains	Non-adiabatic Dynamics in a Laser Field with Floquet Fewest Switches Surface Hopping: The Need for An Accurate Treatment of Coherence and Decoherence Remains
year scholar	2019	2019
venue scholar	arXiv (Cornell University)	arXiv preprint arXiv:1909.11695
kind scholar	working_paper	other
DOI openalex	10.48550/arxiv.1909.11695
preprint DOI	10.48550/arxiv.1909.11695
first author scholar	Zhou	Zhou

Citations

OpenAlex: 0
Scholar: 1
DOI: 10.48550/arxiv.1909.11695
OpenAlex: W2976805210

Match decisions

No decision recorded; a single record.

2017 Electronic Friction Beyond Free Electron Metal Surfaces: The Inclusion of Electron-Electron Correlation arXiv preprint working paper CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Electronic Friction Beyond Free Electron Metal Surfaces: The Inclusion of Electron-Electron Correlation
year scholar			2017
venue scholar			arXiv preprint arXiv:1703.04717
kind scholar			other
first author scholar			Dou

Citations

OpenAlex: none
Scholar: 1

Match decisions

No decision recorded; a single record.

Not counted

2 items · dissertations, talks, media, datasets · listed, not counted as publications

2006 Explorations in Local Correlation Theory University of California, Berkeley thesis not counted journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Explorations in Local Correlation Theory
year scholar			2006
venue scholar			University of California, Berkeley
kind scholar			other
first author scholar			Subotnik

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2006 Q-Chem, version 3.0 Q-Chem, Inc. Pittsburgh, PA dataset not counted CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Q-Chem, version 3.0
year scholar			2006
venue scholar			Q-Chem, Inc. Pittsburgh, PA
kind scholar			other
first author scholar			Shao

Citations

OpenAlex: none
Scholar: 58

Match decisions

No decision recorded; a single record.

Positions

11 from the CV · current position answer · Scholar affiliation

Title	Organization	Years	Rank	Source	Lines
Professor of Chemistry current	Princeton University		Full	CV	6
Professor of Chemistry current	Princeton University	2024–	Full	CV	21
Edmund J. and Louise W. Kahn Endowed Term Chair	University of Pennsylvania	2018–2024	Distinguished named	CV	22, 23
Professor current	University of Pennsylvania	2016–	Full	CV	24
Member Penn Graduate Group in Applied Math and Computational Science current		2016–	Unknown	CV	25
Visiting Associate Professor	Stanford University and SLAC National Accelerator Laboratory, PULSE Institute	2016–2017	Visiting visiting associate level	CV	26, 27
Associate Professor	University of Pennsylvania	2014–2016	Associate	CV	28, 29
Assistant Professor	University of Pennsylvania	2010–2014	Assistant	CV	30, 31
Postdoctoral Research Fellow	Northwestern University	2009–2010	Postdoc	CV	32, 33
NSF International Postdoctoral Fellow	Tel-Aviv University	2007–2009	Postdoc	CV	34, 35
Postdoctoral Researcher	UC Berkeley	2007–2007	Postdoc	CV	36, 37
Professor of Chemistry			Full	CV current position	6, 21
Professor of Chemistry, Princeton University			Full	Scholar

Entries needing review

Kubo-Anderson theory of polariton lineshape
lines 338–340 · year_missing
Spin polarization through a molecular junction based on nuclear Berry curvature effects
lines 474–477 · year_missing

Entries dropped by a reviewer

No dropped entries.

Google Scholar

Profile: Verified profile ↗

Rank

rank: Full as of 2024
source: CV positions
title: Professor of Chemistry

Identity

status: Auto
OpenAlex: A5136356249
method: orcid
confidence: 1.00
cross-check: 0/176 CV titles in 1 works held
Scholar: Found 3sLYF0UAAAAJ
open reviews: 8

Cohort

cohort: Princeton Chemistry

Metrics

h-index (Scholar): 57
citations (Scholar): 18872

Answers

PhD year: 2006 line 17
PhD institution: UC Berkeley line 17
Current position: Professor of Chemistry lines 6, 21

Latest run

run: Run 18
CV: joseph_subotnik.pdf
stage: merge
status: Done

1–5 other other
6–8 1. Joseph E. Subotnik: Professor of Chemistry, Princeton University positions
9–14 2. Work Address: other
15–19 3. Education: education
20–38 4. Research and Professional Experience positions
39–60 5. Awards and Honors awards
61–95 6. Funding: grants
96–244 7. Invited Talks presentations
245–253 8. Contributed Talks: presentations
254–258 9. Teaching Experience teaching
259–261 10. Languages Spoken other
262–277 11. Professional Service service
278–290 12. Editorial Positions: service
291–1188 13. Publications (all in refereed journals): publications1 uncovered
1189–1222 Postdoctoral Publications: publications
1223–1273 Publications from Graduate School: publications
1274–1324 14. Students Supervised: teaching
1325–1330 15. University Service service
1331–1342 16. Departmental Service service
1343–1347 17. Service to the Field service

CVs

joseph_subotnik.pdf current