Academic

Timothy C Berkelbach

Chemistry

Citations received by year

Google Scholar profile

Series: Citations received.0500100015002000250030002013 Citations received 1101102014 Citations received 3643642015 Citations received 7627622016 Citations received 9409402017 Citations received 109910992018 Citations received 134113412019 Citations received 149914992020 Citations received 173817382021 Citations received 179117912022 Citations received 189518952023 Citations received 199419942024 Citations received 234123412025 Citations received 264426442026 Citations received 232823282013201620182020202220242026Citations receivedCalendar year
Series: Citations received.0500100015002000250030002013 Citations received 1102014 Citations received 3642015 Citations received 7622016 Citations received 9402017 Citations received 10992018 Citations received 13412019 Citations received 14992020 Citations received 17382021 Citations received 17912022 Citations received 18952023 Citations received 19942024 Citations received 23412025 Citations received 26442026 Citations received 2328201320202026Citations receivedCalendar year

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

98 rows, 98 from the Scholar profile only

Scholar profile verified; its publication list is only partly imported (100 records fetched). Publication-based totals may be incomplete. The annual citation chart uses the profile’s separate citation history.

2026 The Python Simulations of Chemistry Framework: 10 years of an open-source quantum chemistry project The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar The Python Simulations of Chemistry Framework: 10 years of an open-source quantum chemistry project
year scholar 2026
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Sun

Citations

OpenAlex
none
Scholar
13

Match decisions

No decision recorded; a single record.

2025 Ab initio quantum many-body description of superconducting trends in the cuprates Nature Communications article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Ab initio quantum many-body description of superconducting trends in the cuprates
year scholar 2025
venue scholar Nature Communications
kind scholar other
first author scholar Cui

Citations

OpenAlex
none
Scholar
44

Match decisions

No decision recorded; a single record.

2025 Simulating anharmonic vibrational polaritons beyond the long wavelength approximation The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Simulating anharmonic vibrational polaritons beyond the long wavelength approximation
year scholar 2025
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Jasrasaria

Citations

OpenAlex
none
Scholar
8

Match decisions

No decision recorded; a single record.

2025 Strong anharmonicity dictates ultralow thermal conductivities of type-I clathrates Physical Review B article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Strong anharmonicity dictates ultralow thermal conductivities of type-I clathrates
year scholar 2025
venue scholar Physical Review B
kind scholar other
first author scholar Jasrasaria

Citations

OpenAlex
none
Scholar
9

Match decisions

No decision recorded; a single record.

2024 Adsorption and vibrational spectroscopy of CO on the surface of MgO from periodic local coupled-cluster theory Faraday Discussions article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Adsorption and vibrational spectroscopy of CO on the surface of MgO from periodic local coupled-cluster theory
year scholar 2024
venue scholar Faraday Discussions
kind scholar other
first author scholar Ye

Citations

OpenAlex
none
Scholar
42

Match decisions

No decision recorded; a single record.

2024 Ligand field design enables quantum manipulation of spins in Ni2+ complexes Chemical Science article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Ligand field design enables quantum manipulation of spins in Ni2+ complexes
year scholar 2024
venue scholar Chemical Science
kind scholar other
first author scholar Wojnar

Citations

OpenAlex
none
Scholar
21

Match decisions

No decision recorded; a single record.

2024 Nonperturbative simulation of anharmonic rattler dynamics in type-I clathrates with vibrational dynamical mean-field theory Physical Review B article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Nonperturbative simulation of anharmonic rattler dynamics in type-I clathrates with vibrational dynamical mean-field theory
year scholar 2024
venue scholar Physical Review B
kind scholar other
first author scholar Jasrasaria

Citations

OpenAlex
none
Scholar
9

Match decisions

No decision recorded; a single record.

2024 Optical properties of defects in solids via quantum embedding with good active space orbitals The Journal of Physical Chemistry C article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Optical properties of defects in solids via quantum embedding with good active space orbitals
year scholar 2024
venue scholar The Journal of Physical Chemistry C
kind scholar other
first author scholar Lau

Citations

OpenAlex
none
Scholar
20

Match decisions

No decision recorded; a single record.

2024 Performance of periodic EOM-CCSD for bandgaps of inorganic semiconductors and insulators The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Performance of periodic EOM-CCSD for bandgaps of inorganic semiconductors and insulators
year scholar 2024
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Vo

Citations

OpenAlex
none
Scholar
29

Match decisions

No decision recorded; a single record.

2024 Performant automatic differentiation of local coupled cluster theories: Response properties and ab initio molecular dynamics The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Performant automatic differentiation of local coupled cluster theories: Response properties and ab initio molecular dynamics
year scholar 2024
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Zhang

Citations

OpenAlex
none
Scholar
14

Match decisions

No decision recorded; a single record.

2024 Periodic local coupled-cluster theory for insulators and metals Journal of Chemical Theory and Computation article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Periodic local coupled-cluster theory for insulators and metals
year scholar 2024
venue scholar Journal of Chemical Theory and Computation
kind scholar other
first author scholar Ye

Citations

OpenAlex
none
Scholar
46

Match decisions

No decision recorded; a single record.

2024 Plasmon-exciton strong coupling in single-molecule junction electroluminescence Journal of the American Chemical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Plasmon-exciton strong coupling in single-molecule junction electroluminescence
year scholar 2024
venue scholar Journal of the American Chemical Society
kind scholar other
first author scholar Paoletta

Citations

OpenAlex
none
Scholar
24

Match decisions

No decision recorded; a single record.

2024 Reaction rate theory for electric field catalysis in solution Journal of the American Chemical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Reaction rate theory for electric field catalysis in solution
year scholar 2024
venue scholar Journal of the American Chemical Society
kind scholar other
first author scholar Kundu

Citations

OpenAlex
none
Scholar
9

Match decisions

No decision recorded; a single record.

2024 Toward linear scaling auxiliary-field quantum monte carlo with local natural orbitals Journal of Chemical Theory and Computation article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Toward linear scaling auxiliary-field quantum monte carlo with local natural orbitals
year scholar 2024
venue scholar Journal of Chemical Theory and Computation
kind scholar other
first author scholar Kurian

Citations

OpenAlex
none
Scholar
12

Match decisions

No decision recorded; a single record.

2023 Accurate Quantum Chemical Reaction Energies for Lithium-Mediated Electrolyte Decomposition and Evaluation of Density Functional Approximations The Journal of Physical Chemistry A article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title openalex Accurate quantum chemical reaction energies forlithium-mediated electrolyte decomposition andevaluation of density functional approximationsAccurate Quantum Chemical Reaction Energies for Lithium-Mediated Electrolyte Decomposition and Evaluation of Density Functional Approximations
year openalex 20232023
venue openalex ChemRxivThe Journal of Physical Chemistry A
kind openalex working_paperarticle
DOI openalex 10.26434/chemrxiv-2023-d4mq1-v210.1021/acs.jpca.3c04369
preprint DOI openalex 10.26434/chemrxiv-2023-d4mq1-v2
first author openalex DebnathDebnath

Also recorded as

  • W4385795108 (DOI 10.26434/chemrxiv-2023-d4mq1-v2) · preprint · 2023 Accurate quantum chemical reaction energies forlithium-mediated electrolyte decomposition andevaluation of density functional approximations

Citations

OpenAlex
15
Scholar
19
DOI
10.1021/acs.jpca.3c04369
OpenAlex
W4387948943

Match decisions

No decision recorded; a single record.

2023 Can spin-component scaled MP2 achieve kJ/mol accuracy for cohesive energies of molecular crystals? The Journal of Physical Chemistry Letters article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Can spin-component scaled MP2 achieve kJ/mol accuracy for cohesive energies of molecular crystals?
year scholar 2023
venue scholar The Journal of Physical Chemistry Letters
kind scholar other
first author scholar Liang

Citations

OpenAlex
none
Scholar
18

Match decisions

No decision recorded; a single record.

2023 Conductivity of an electron coupled to anharmonic phonons: Quantum-classical simulations and comparison of approximations Physical Review B article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Conductivity of an electron coupled to anharmonic phonons: Quantum-classical simulations and comparison of approximations
year scholar 2023
venue scholar Physical Review B
kind scholar other
first author scholar Fetherolf

Citations

OpenAlex
none
Scholar
16

Match decisions

No decision recorded; a single record.

2023 Data-efficient machine learning potentials from transfer learning of periodic correlated electronic structure methods: Liquid water at AFQMC, CCSD, and CCSD (T) accuracy Journal of Chemical Theory and Computation article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Data-efficient machine learning potentials from transfer learning of periodic correlated electronic structure methods: Liquid water at AFQMC, CCSD, and CCSD (T) accuracy
year scholar 2023
venue scholar Journal of Chemical Theory and Computation
kind scholar other
first author scholar Chen

Citations

OpenAlex
none
Scholar
112

Match decisions

No decision recorded; a single record.

2023 Electric fields drive bond homolysis Chemical Science other journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Electric fields drive bond homolysis
year scholar 2023
venue scholar Chemical Science
kind scholar other
first author scholar Zhang

Citations

OpenAlex
none
Scholar
44

Match decisions

No decision recorded; a single record.

2023 Excitons and their fine structure in lead halide perovskite nanocrystals from atomistic GW/BSE calculations The Journal of Physical Chemistry C article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Excitons and their fine structure in lead halide perovskite nanocrystals from atomistic GW/BSE calculations
year scholar 2023
venue scholar The Journal of Physical Chemistry C
kind scholar other
first author scholar Biffi

Citations

OpenAlex
none
Scholar
18

Match decisions

No decision recorded; a single record.

2023 Highly accurate electronic structure of metallic solids from coupled-cluster theory with nonperturbative triple excitations Physical Review Letters article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Highly accurate electronic structure of metallic solids from coupled-cluster theory with nonperturbative triple excitations
year scholar 2023
venue scholar Physical Review Letters
kind scholar other
first author scholar Neufeld

Citations

OpenAlex
none
Scholar
33

Match decisions

No decision recorded; a single record.

2023 Mobile trions in electrically tunable 2D hybrid perovskites Advanced Materials article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Mobile trions in electrically tunable 2D hybrid perovskites
year scholar 2023
venue scholar Advanced Materials
kind scholar other
first author scholar Ziegler

Citations

OpenAlex
none
Scholar
21

Match decisions

No decision recorded; a single record.

2023 Room-temperature wavelike exciton transport in a van der Waals superatomic semiconductor Science article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Room-temperature wavelike exciton transport in a van der Waals superatomic semiconductor
year scholar 2023
venue scholar Science
kind scholar other
first author scholar Tulyagankhodjaev

Citations

OpenAlex
none
Scholar
49

Match decisions

No decision recorded; a single record.

2023 Understanding and eliminating spurious modes in variational Monte Carlo using collective variables Physical Review Research article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Understanding and eliminating spurious modes in variational Monte Carlo using collective variables
year scholar 2023
venue scholar Physical Review Research
kind scholar other
first author scholar Zhang

Citations

OpenAlex
none
Scholar
9

Match decisions

No decision recorded; a single record.

2023 Vibrational heat-bath configuration interaction with semistochastic perturbation theory using harmonic oscillator or VSCF modals The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Vibrational heat-bath configuration interaction with semistochastic perturbation theory using harmonic oscillator or VSCF modals
year scholar 2023
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Tran

Citations

OpenAlex
none
Scholar
12

Match decisions

No decision recorded; a single record.

2022 Accurate thermochemistry of covalent and ionic solids from spin-component-scaled MP2 The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Accurate thermochemistry of covalent and ionic solids from spin-component-scaled MP2
year scholar 2022
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Goldzak

Citations

OpenAlex
none
Scholar
17

Match decisions

No decision recorded; a single record.

2022 Anharmonic lattice dynamics from vibrational dynamical mean-field theory Physical Review B article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Anharmonic lattice dynamics from vibrational dynamical mean-field theory
year scholar 2022
venue scholar Physical Review B
kind scholar other
first author scholar Shih

Citations

OpenAlex
none
Scholar
9

Match decisions

No decision recorded; a single record.

2022 Approximating matrix eigenvalues by subspace iteration with repeated random sparsification SIAM Journal on Scientific Computing article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Approximating matrix eigenvalues by subspace iteration with repeated random sparsification
year scholar 2022
venue scholar SIAM Journal on Scientific Computing
kind scholar other
first author scholar Greene

Citations

OpenAlex
none
Scholar
8

Match decisions

No decision recorded; a single record.

2022 Correlation-consistent Gaussian basis sets for solids made simple Journal of Chemical Theory and Computation article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Correlation-consistent Gaussian basis sets for solids made simple
year scholar 2022
venue scholar Journal of Chemical Theory and Computation
kind scholar other
first author scholar Ye

Citations

OpenAlex
none
Scholar
69

Match decisions

No decision recorded; a single record.

2022 Dark-exciton driven energy funneling into dielectric inhomogeneities in two-dimensional semiconductors Nano Letters article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Dark-exciton driven energy funneling into dielectric inhomogeneities in two-dimensional semiconductors
year scholar 2022
venue scholar Nano Letters
kind scholar other
first author scholar Su

Citations

OpenAlex
none
Scholar
49

Match decisions

No decision recorded; a single record.

2022 Full-frequency dynamical Bethe–Salpeter equation without frequency and a study of double excitations The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Full-frequency dynamical Bethe–Salpeter equation without frequency and a study of double excitations
year scholar 2022
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Bintrim

Citations

OpenAlex
none
Scholar
37

Match decisions

No decision recorded; a single record.

2022 Ground-state properties of metallic solids from ab initio coupled-cluster theory The Journal of Physical Chemistry Letters article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Ground-state properties of metallic solids from ab initio coupled-cluster theory
year scholar 2022
venue scholar The Journal of Physical Chemistry Letters
kind scholar other
first author scholar Neufeld

Citations

OpenAlex
none
Scholar
42

Match decisions

No decision recorded; a single record.

2022 Integral-Direct Hartree–Fock and Møller–Plesset Perturbation Theory for Periodic Systems with Density Fitting: Application to the Benzene Crystal Journal of Chemical Theory and Computation article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Integral-Direct Hartree–Fock and Møller–Plesset Perturbation Theory for Periodic Systems with Density Fitting: Application to the Benzene Crystal
year scholar 2022
venue scholar Journal of Chemical Theory and Computation
kind scholar other
first author scholar Bintrim

Citations

OpenAlex
none
Scholar
27

Match decisions

No decision recorded; a single record.

2022 Interfacial electric fields catalyze Ullmann coupling reactions on gold surfaces Chemical Science article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title openalex Interfacial electric fields catalyze Ullmann coupling reactions on gold surfacesInterfacial electric fields catalyze Ullmann coupling reactions on gold surfaces
year openalex 20222022
venue openalex ChemRxivChemical Science
kind openalex working_paperarticle
DOI openalex 10.26434/chemrxiv-2022-jqwmn10.1039/d2sc03780g
preprint DOI openalex 10.26434/chemrxiv-2022-jqwmn
first author openalex StoneStone

Also recorded as

Citations

OpenAlex
25
Scholar
34
DOI
10.1039/d2sc03780g
OpenAlex
W4294292272

Match decisions

No decision recorded; a single record.

2022 Linear free energy relationships in electrostatic catalysis ACS Catalysis article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Linear free energy relationships in electrostatic catalysis
year scholar 2022
venue scholar ACS Catalysis
kind scholar other
first author scholar Hoffmann

Citations

OpenAlex
none
Scholar
21

Match decisions

No decision recorded; a single record.

2022 Simplified GW/BSE approach for charged and neutral excitation energies of large molecules and nanomaterials Journal of Chemical Theory and Computation article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Simplified GW/BSE approach for charged and neutral excitation energies of large molecules and nanomaterials
year scholar 2022
venue scholar Journal of Chemical Theory and Computation
kind scholar other
first author scholar Cho

Citations

OpenAlex
none
Scholar
32

Match decisions

No decision recorded; a single record.

2021 Absorption spectra of solids from periodic equation-of-motion coupled-cluster theory Journal of Chemical Theory and Computation article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Absorption spectra of solids from periodic equation-of-motion coupled-cluster theory
year scholar 2021
venue scholar Journal of Chemical Theory and Computation
kind scholar other
first author scholar Wang

Citations

OpenAlex
none
Scholar
30

Match decisions

No decision recorded; a single record.

2021 Dynamical correlation energy of metals in large basis sets from downfolding and composite approaches The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Dynamical correlation energy of metals in large basis sets from downfolding and composite approaches
year scholar 2021
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Callahan

Citations

OpenAlex
none
Scholar
22

Match decisions

No decision recorded; a single record.

2021 Fast periodic Gaussian density fitting by range separation The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Fast periodic Gaussian density fitting by range separation
year scholar 2021
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Ye

Citations

OpenAlex
none
Scholar
53

Match decisions

No decision recorded; a single record.

2021 Full-frequency GW without frequency The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Full-frequency GW without frequency
year scholar 2021
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Bintrim

Citations

OpenAlex
none
Scholar
81

Match decisions

No decision recorded; a single record.

2021 Improving MP2 bandgaps with low-scaling approximations to EOM-CCSD The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Improving MP2 bandgaps with low-scaling approximations to EOM-CCSD
year scholar 2021
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Lange

Citations

OpenAlex
none
Scholar
22

Match decisions

No decision recorded; a single record.

2021 Polytypism, anisotropic transport, and weyl nodes in the van der Waals Metal TaFeTe4 Journal of the American Chemical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Polytypism, anisotropic transport, and weyl nodes in the van der Waals Metal TaFeTe4
year scholar 2021
venue scholar Journal of the American Chemical Society
kind scholar other
first author scholar Wiscons

Citations

OpenAlex
none
Scholar
9

Match decisions

No decision recorded; a single record.

2021 Regional embedding enables high-level quantum chemistry for surface science The Journal of Physical Chemistry Letters article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Regional embedding enables high-level quantum chemistry for surface science
year scholar 2021
venue scholar The Journal of Physical Chemistry Letters
kind scholar other
first author scholar Lau

Citations

OpenAlex
none
Scholar
82

Match decisions

No decision recorded; a single record.

2021 Simulations of trions and biexcitons in layered hybrid organic-inorganic lead halide perovskites Physical Review Letters article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Simulations of trions and biexcitons in layered hybrid organic-inorganic lead halide perovskites
year scholar 2021
venue scholar Physical Review Letters
kind scholar other
first author scholar Cho

Citations

OpenAlex
none
Scholar
27

Match decisions

No decision recorded; a single record.

2021 Tight distance-dependent estimators for screening two-center and three-center short-range Coulomb integrals over Gaussian basis functions The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Tight distance-dependent estimators for screening two-center and three-center short-range Coulomb integrals over Gaussian basis functions
year scholar 2021
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Ye

Citations

OpenAlex
none
Scholar
19

Match decisions

No decision recorded; a single record.

2021 Tunable Cr4+ Molecular Color Centers Journal of the American Chemical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Tunable Cr4+ Molecular Color Centers
year scholar 2021
venue scholar Journal of the American Chemical Society
kind scholar other
first author scholar Laorenza

Citations

OpenAlex
none
Scholar
106

Match decisions

No decision recorded; a single record.

2021 Vibrational heat-bath configuration interaction The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Vibrational heat-bath configuration interaction
year scholar 2021
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Fetherolf

Citations

OpenAlex
none
Scholar
35

Match decisions

No decision recorded; a single record.

2020 Ab Initio Linear and Pump–Probe Spectroscopy of Excitons in Molecular Crystals The Journal of Physical Chemistry Letters article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Ab Initio Linear and Pump–Probe Spectroscopy of Excitons in Molecular Crystals
year scholar 2020
venue scholar The Journal of Physical Chemistry Letters
kind scholar other
first author scholar Lewis

Citations

OpenAlex
none
Scholar
9

Match decisions

No decision recorded; a single record.

2020 Active space approaches combining coupled-cluster and perturbation theory for ground states and excited states Molecular physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Active space approaches combining coupled-cluster and perturbation theory for ground states and excited states
year scholar 2020
venue scholar Molecular physics
kind scholar other
first author scholar Lange

Citations

OpenAlex
none
Scholar
18

Match decisions

No decision recorded; a single record.

2020 A unification of the Holstein polaron and dynamic disorder pictures of charge transport in organic crystals Physical Review X article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar A unification of the Holstein polaron and dynamic disorder pictures of charge transport in organic crystals
year scholar 2020
venue scholar Physical Review X
kind scholar other
first author scholar Fetherolf

Citations

OpenAlex
none
Scholar
91

Match decisions

No decision recorded; a single record.

2020 Excitons in solids from periodic equation-of-motion coupled-cluster theory Journal of Chemical Theory and Computation article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Excitons in solids from periodic equation-of-motion coupled-cluster theory
year scholar 2020
venue scholar Journal of Chemical Theory and Computation
kind scholar other
first author scholar Wang

Citations

OpenAlex
none
Scholar
101

Match decisions

No decision recorded; a single record.

2020 Improved fast randomized iteration approach to full configuration interaction Journal of Chemical Theory and Computation article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Improved fast randomized iteration approach to full configuration interaction
year scholar 2020
venue scholar Journal of Chemical Theory and Computation
kind scholar other
first author scholar Greene

Citations

OpenAlex
none
Scholar
18

Match decisions

No decision recorded; a single record.

2020 Quantum plasmons and intraband excitons in doped nanoparticles: Insights from quantum chemistry The Journal of Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Quantum plasmons and intraband excitons in doped nanoparticles: Insights from quantum chemistry
year scholar 2020
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Lau

Citations

OpenAlex
none
Scholar
8

Match decisions

No decision recorded; a single record.

2020 Recent developments in the PySCF program package The Journal of chemical physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Recent developments in the PySCF program package
year scholar 2020
venue scholar The Journal of chemical physics
kind scholar other
first author scholar Sun

Citations

OpenAlex
none
Scholar
1696

Match decisions

No decision recorded; a single record.

2020 Special topic on dynamics of open quantum systems The Journal of chemical physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Special topic on dynamics of open quantum systems
year scholar 2020
venue scholar The Journal of chemical physics
kind scholar other
first author scholar Berkelbach

Citations

OpenAlex
none
Scholar
17

Match decisions

No decision recorded; a single record.

2019 Ab Initio Lifetime and Concomitant Double-Excitation Character of Plasmons at Metallic Densities Physical Review Letters article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

FieldCVOpenAlexScholar
title scholar Ab Initio Lifetime and Concomitant Double-Excitation Character of Plasmons at Metallic Densities
year scholar 2019
venue scholar Physical Review Letters
kind scholar other
first author scholar Lewis

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22

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2019 Beyond Walkers in Stochastic Quantum Chemistry: Reducing Error using Fast Randomized Iteration Journal of Chemical Theory and Computation article journal CV OA GS Scholar only

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title scholar Beyond Walkers in Stochastic Quantum Chemistry: Reducing Error using Fast Randomized Iteration
year scholar 2019
venue scholar Journal of Chemical Theory and Computation
kind scholar other
first author scholar Greene

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32

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2019 Coupled-cluster impurity solvers for dynamical mean-field theory Physical Review B article journal CV OA GS Scholar only

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title scholar Coupled-cluster impurity solvers for dynamical mean-field theory
year scholar 2019
venue scholar Physical Review B
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first author scholar Zhu

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2019 Dielectric disorder in two-dimensional materials Nature nanotechnology article journal CV OA GS Scholar only

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title scholar Dielectric disorder in two-dimensional materials
year scholar 2019
venue scholar Nature nanotechnology
kind scholar other
first author scholar Raja

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2019 Large Band Edge Tunability in Colloidal Nanoplatelets Nano letters article journal CV OA GS Scholar only

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title scholar Large Band Edge Tunability in Colloidal Nanoplatelets
year scholar 2019
venue scholar Nano letters
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first author scholar Zhou

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2019 Many-body simulation of two-dimensional electronic spectroscopy of excitons and trions in monolayer transition metal dichalcogenides Nature communications article journal CV OA GS Scholar only

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title scholar Many-body simulation of two-dimensional electronic spectroscopy of excitons and trions in monolayer transition metal dichalcogenides
year scholar 2019
venue scholar Nature communications
kind scholar other
first author scholar Tempelaar

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2019 Optical Properties of Layered Hybrid Organic-Inorganic Halide Perovskites: A Tight-Binding GW-BSE Study The Journal of Physical Chemistry Letters article journal CV OA GS Scholar only

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title scholar Optical Properties of Layered Hybrid Organic-Inorganic Halide Perovskites: A Tight-Binding GW-BSE Study
year scholar 2019
venue scholar The Journal of Physical Chemistry Letters
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first author scholar Cho

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2019 Vertex Corrections to the Polarizability Do Not Improve the GW Approximation for the Ionization Potential of Molecules Journal of chemical theory and computation article journal CV OA GS Scholar only

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title scholar Vertex Corrections to the Polarizability Do Not Improve the GW Approximation for the Ionization Potential of Molecules
year scholar 2019
venue scholar Journal of chemical theory and computation
kind scholar other
first author scholar Lewis

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2018 Communication: Random-phase approximation excitation energies from approximate equation-of-motion coupled-cluster doubles The Journal of Chemical Physics article journal CV OA GS Scholar only

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title scholar Communication: Random-phase approximation excitation energies from approximate equation-of-motion coupled-cluster doubles
year scholar 2018
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Berkelbach

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38

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2018 Environmentally sensitive theory of electronic and optical transitions in atomically thin semiconductors Physical Review B article journal CV OA GS Scholar only

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title scholar Environmentally sensitive theory of electronic and optical transitions in atomically thin semiconductors
year scholar 2018
venue scholar Physical Review B
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first author scholar Cho

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2018 On The Relation between Equation-of-Motion Coupled-Cluster Theory and the GW Approximation Journal of Chemical Theory and Computation article journal CV OA GS Scholar only

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title scholar On The Relation between Equation-of-Motion Coupled-Cluster Theory and the GW Approximation
year scholar 2018
venue scholar Journal of Chemical Theory and Computation
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first author scholar Lange

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2018 Optical and excitonic properties of atomically thin transition-metal dichalcogenides Annual Review of Condensed Matter Physics article journal CV OA GS Scholar only

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title scholar Optical and excitonic properties of atomically thin transition-metal dichalcogenides
year scholar 2018
venue scholar Annual Review of Condensed Matter Physics
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first author scholar Berkelbach

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2018 PySCF: the Python‐based simulations of chemistry framework Wiley Interdisciplinary Reviews: Computational Molecular Science book journal CV OA GS Scholar only

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title scholar PySCF: the Python‐based simulations of chemistry framework
year scholar 2018
venue scholar Wiley Interdisciplinary Reviews: Computational Molecular Science
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first author scholar Sun

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2017 Coulomb engineering of the bandgap and excitons in two-dimensional materials Nature communications article journal CV OA GS Scholar only

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title scholar Coulomb engineering of the bandgap and excitons in two-dimensional materials
year scholar 2017
venue scholar Nature communications
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first author scholar Raja

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993
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1001

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2017 Electronic structure and dynamics of singlet fission in organic molecules and crystals Advances in Chemical Physics article CV OA GS Scholar only

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title scholar Electronic structure and dynamics of singlet fission in organic molecules and crystals
year scholar 2017
venue scholar Advances in Chemical Physics
kind scholar other
first author scholar Berkelbach

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21

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2017 Gaussian and plane-wave mixed density fitting for periodic systems The Journal of Chemical Physics article journal CV OA GS Scholar only

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title scholar Gaussian and plane-wave mixed density fitting for periodic systems
year scholar 2017
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Sun

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128

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2017 Gaussian-based coupled-cluster theory for the ground-state and band structure of solids Journal of chemical theory and computation article journal CV OA GS Scholar only

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title scholar Gaussian-based coupled-cluster theory for the ground-state and band structure of solids
year scholar 2017
venue scholar Journal of chemical theory and computation
kind scholar other
first author scholar McClain

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2017 Linear and nonlinear spectroscopy from quantum master equations The Journal of Chemical Physics article journal CV OA GS Scholar only

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title scholar Linear and nonlinear spectroscopy from quantum master equations
year scholar 2017
venue scholar The Journal of Chemical Physics
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first author scholar Fetherolf

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2016 On the accuracy of the Padé-resummed master equation approach to dissipative quantum dynamics The Journal of Chemical Physics article journal CV OA GS Scholar only

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title scholar On the accuracy of the Padé-resummed master equation approach to dissipative quantum dynamics
year scholar 2016
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Chen

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21

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2016 Spectral functions of the uniform electron gas via coupled-cluster theory and comparison to the GW and related approximations Physical Review B article journal CV OA GS Scholar only

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title scholar Spectral functions of the uniform electron gas via coupled-cluster theory and comparison to the GW and related approximations
year scholar 2016
venue scholar Physical Review B
kind scholar other
first author scholar McClain

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2015 Binding energies and spatial structures of small carrier complexes in monolayer transition-metal dichalcogenides via diffusion Monte Carlo Physical Review B article journal CV OA GS Scholar only

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title scholar Binding energies and spatial structures of small carrier complexes in monolayer transition-metal dichalcogenides via diffusion Monte Carlo
year scholar 2015
venue scholar Physical Review B
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first author scholar Mayers

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2015 Bright and dark singlet excitons via linear and two-photon spectroscopy in monolayer transition-metal dichalcogenides Physical Review B article journal CV OA GS Scholar only

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title scholar Bright and dark singlet excitons via linear and two-photon spectroscopy in monolayer transition-metal dichalcogenides
year scholar 2015
venue scholar Physical Review B
kind scholar other
first author scholar Berkelbach

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2015 Extending the applicability of Redfield theories into highly non-Markovian regimes The Journal of Chemical Physics article journal CV OA GS Scholar only

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title scholar Extending the applicability of Redfield theories into highly non-Markovian regimes
year scholar 2015
venue scholar The Journal of Chemical Physics
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first author scholar Montoya-Castillo

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2015 Observation of biexcitons in monolayer WSe2 Nature Physics article journal CV OA GS Scholar only

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title scholar Observation of biexcitons in monolayer WSe2
year scholar 2015
venue scholar Nature Physics
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first author scholar You

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2015 Observation of excitonic Rydberg states in monolayer MoS2 and WS2 by photoluminescence excitation spectroscopy Nano Letters article journal CV OA GS Scholar only

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title scholar Observation of excitonic Rydberg states in monolayer MoS2 and WS2 by photoluminescence excitation spectroscopy
year scholar 2015
venue scholar Nano Letters
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first author scholar Hill

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2014 Exciton Binding Energy and Nonhydrogenic Rydberg Series in Monolayer WS2 Physical Review Letters article journal CV OA GS Scholar only

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title scholar Exciton Binding Energy and Nonhydrogenic Rydberg Series in Monolayer WS2
year scholar 2014
venue scholar Physical Review Letters
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first author scholar Chernikov

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2014 Length-dependent conductance of oligothiophenes Journal of the American Chemical Society article journal CV OA GS Scholar only

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title scholar Length-dependent conductance of oligothiophenes
year scholar 2014
venue scholar Journal of the American Chemical Society
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first author scholar Capozzi

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2014 Microscopic theory of singlet exciton fission. III. Crystalline pentacene The Journal of Chemical Physics article journal CV OA GS Scholar only

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title scholar Microscopic theory of singlet exciton fission. III. Crystalline pentacene
year scholar 2014
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Berkelbach

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2014 Multiphonon Relaxation Slows Singlet Fission in Crystalline Hexacene Journal of the American Chemical Society article journal CV OA GS Scholar only

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title openalex Multiphonon Relaxation Slows Singlet Fission in Crystalline Hexacene
year openalex 2014
venue openalex Journal of the American Chemical Society
kind openalex article
DOI openalex 10.1021/ja503980c
first author openalex Busby

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158
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2014 Tailoring the electronic structure in bilayer molybdenum disulfide via interlayer twist Nano Letters article journal CV OA GS Scholar only

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title scholar Tailoring the electronic structure in bilayer molybdenum disulfide via interlayer twist
year scholar 2014
venue scholar Nano Letters
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first author scholar van der Zande

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2013 Coherent quantum dynamics in donor–bridge–acceptor systems: beyond the hopping and super-exchange mechanisms New Journal of Physics article journal CV OA GS Scholar only

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title scholar Coherent quantum dynamics in donor–bridge–acceptor systems: beyond the hopping and super-exchange mechanisms
year scholar 2013
venue scholar New Journal of Physics
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first author scholar Jang

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42

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2013 Grains and grain boundaries in highly crystalline monolayer molybdenum disulfide Nature Materials article journal CV OA GS Scholar only

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title scholar Grains and grain boundaries in highly crystalline monolayer molybdenum disulfide
year scholar 2013
venue scholar Nature Materials
kind scholar other
first author scholar van der Zande

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2663

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2013 Impact of molecular symmetry on single-molecule conductance Journal of the American Chemical Society article journal CV OA GS Scholar only

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title scholar Impact of molecular symmetry on single-molecule conductance
year scholar 2013
venue scholar Journal of the American Chemical Society
kind scholar other
first author scholar Dell

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92

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2013 Microscopic theory of singlet exciton fission. I. General formulation The Journal of Chemical Physics article journal CV OA GS Scholar only

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title scholar Microscopic theory of singlet exciton fission. I. General formulation
year scholar 2013
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Berkelbach

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2013 Microscopic theory of singlet exciton fission. II. Application to pentacene dimers and the role of superexchange The Journal of Chemical Physics article journal CV OA GS Scholar only

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title scholar Microscopic theory of singlet exciton fission. II. Application to pentacene dimers and the role of superexchange
year scholar 2013
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Berkelbach

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2013 Theory of neutral and charged excitons in monolayer transition metal dichalcogenides Physical Review B article journal CV OA GS Scholar only

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title scholar Theory of neutral and charged excitons in monolayer transition metal dichalcogenides
year scholar 2013
venue scholar Physical Review B
kind scholar other
first author scholar Berkelbach

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2013 The Quantum Coherent Mechanism for Singlet Fission: Experiment and Theory Accounts of Chemical Research article journal CV OA GS Scholar only

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title openalex The Quantum Coherent Mechanism for Singlet Fission: Experiment and Theory
year openalex 2013
venue openalex Accounts of Chemical Research
kind openalex article
DOI openalex 10.1021/ar300286s
first author openalex Chan

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333
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393
DOI
10.1021/ar300286s
OpenAlex
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2012 Reduced density matrix hybrid approach: An efficient and accurate method for adiabatic and non-adiabatic quantum dynamics The Journal of Chemical Physics article journal CV OA GS Scholar only

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title scholar Reduced density matrix hybrid approach: An efficient and accurate method for adiabatic and non-adiabatic quantum dynamics
year scholar 2012
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Berkelbach

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2012 Reduced density matrix hybrid approach: Application to electronic energy transfer The Journal of Chemical Physics article journal CV OA GS Scholar only

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title scholar Reduced density matrix hybrid approach: Application to electronic energy transfer
year scholar 2012
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Berkelbach

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84

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2011 Quantum quench spectroscopy of a Luttinger liquid: Ultrarelativistic density wave dynamics due to fractionalization in an chain Physical Review B—Condensed Matter and Materials Physics article journal CV OA GS Scholar only

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title scholar Quantum quench spectroscopy of a Luttinger liquid: Ultrarelativistic density wave dynamics due to fractionalization in an chain
year scholar 2011
venue scholar Physical Review B—Condensed Matter and Materials Physics
kind scholar other
first author scholar Foster

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35

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2009 Concerted hydrogen-bond dynamics in the transport mechanism of the hydrated proton: A first-principles molecular dynamics study Physical Review Letters article journal CV OA GS Scholar only

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title scholar Concerted hydrogen-bond dynamics in the transport mechanism of the hydrated proton: A first-principles molecular dynamics study
year scholar 2009
venue scholar Physical Review Letters
kind scholar other
first author scholar Berkelbach

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2009 Modeling energy dependence of the inner-shell x-ray emission produced by femtosecond-pulse laser irradiation of xenon clusters Physical Review E—Statistical, Nonlinear, and Soft Matter Physics article journal CV OA GS Scholar only

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title scholar Modeling energy dependence of the inner-shell x-ray emission produced by femtosecond-pulse laser irradiation of xenon clusters
year scholar 2009
venue scholar Physical Review E—Statistical, Nonlinear, and Soft Matter Physics
kind scholar other
first author scholar Berkelbach

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13

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2009 Optimizing the switching function for nonequilibrium free-energy calculations: An on-the-fly approach The Journal of Chemical Physics article journal CV OA GS Scholar only

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title scholar Optimizing the switching function for nonequilibrium free-energy calculations: An on-the-fly approach
year scholar 2009
venue scholar The Journal of Chemical Physics
kind scholar other
first author scholar Lindberg

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12

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In progress

2 items in progress, under review, forthcoming or a working paper · not counted as publications

2023 Ab initio surface chemistry with chemical accuracy arXiv preprint working paper CV OA GS Scholar only

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title scholar Ab initio surface chemistry with chemical accuracy
year scholar 2023
venue scholar arXiv preprint arXiv:2309.14640
kind scholar other
first author scholar Ye

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14

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2010 Conductivity of disordered quantum lattice models at infinite temperature: Many-body localization arXiv preprint working paper CV OA GS Scholar only

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title scholar Conductivity of disordered quantum lattice models at infinite temperature: Many-body localization
year scholar 2010
venue scholar arXiv preprint arXiv:1003.5224
kind scholar other
first author scholar Berkelbach

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