Robert A. DiStasio Jr.

2026 ALD with Alternative Coreactants: Which Work, Which Do Not, and Why The Journal of Physical Chemistry C article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	ALD with Alternative Coreactants: Which Work, Which Do Not, and Why	ALD with Alternative Coreactants: Which Work, Which Do Not, and Why
year openalex	2026	2026
venue openalex	The Journal of Physical Chemistry C	The Journal of Physical Chemistry C
kind openalex	article	other
DOI openalex	10.1021/acs.jpcc.6c01772
first author openalex	Swarup	Swarup

Citations

OpenAlex: 0
Scholar: none
DOI: 10.1021/acs.jpcc.6c01772
OpenAlex: W7202069969

Match decisions

fingerprint merged · 1.00 · Run 18

2026 A Tale of Two Splines: Towards Next-Generation Density Functionals and Machine Learning for 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			A Tale of Two Splines: Towards Next-Generation Density Functionals and Machine Learning for Chemistry
year scholar			2026
venue scholar			APS Global Physics Summit
kind scholar			other
first author scholar			Distasio

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2026 Influence of Substrate van der Waals Interactions on the Structural Stability of Violet Phosphorus 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			Influence of Substrate van der Waals Interactions on the Structural Stability of Violet Phosphorus
year scholar			2026
venue scholar			APS Global Physics Summit
kind scholar			other
first author scholar			Singh

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2025 Compound data for Designing Polymers with Molecular Weight Distribution Based Machine Learning other CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Compound data for Designing Polymers with Molecular Weight Distribution Based Machine Learning
year scholar			2025
kind scholar			other
first author scholar			Hu

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2025 Comprehensive Study of Substrate van der Waals Force Effect on the Stability of Violet Phosphorus 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			Comprehensive Study of Substrate van der Waals Force Effect on the Stability of Violet Phosphorus
year scholar			2025
venue scholar			APS Global Physics Summit
kind scholar			other
first author scholar			Singh

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2025 Designing Polymers with Molecular Weight Distribution-Based Machine Learning Journal of the American Chemical Society supplement 2025 Data from: Designing Polymers with Molecular Weight Distribution-Based Machine Learning article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Designing Polymers with Molecular Weight Distribution-Based Machine Learning	Designing polymers with molecular weight distribution-based machine learning
year openalex	2025	2025
venue openalex	Journal of the American Chemical Society	Journal of the American Chemical Society
kind openalex	article	other
DOI openalex	10.1021/jacs.4c16325
first author openalex	Hu	Hu

Citations

OpenAlex: 21
Scholar: 22
DOI: 10.1021/jacs.4c16325
OpenAlex: W4408441083

Match decisions

fingerprint merged · 1.00 · Run 18

2025 Learning Molecular Conformational Energies Using Semilocal Density Fingerprints The Journal of Physical Chemistry Letters article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Learning Molecular Conformational Energies Using Semilocal Density Fingerprints	Learning Molecular Conformational Energies Using Semilocal Density Fingerprints
year openalex	2025	2025
venue openalex	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind openalex	article	other
DOI openalex	10.1021/acs.jpclett.5c02222
first author openalex	Shen	Shen

Citations

OpenAlex: 0
Scholar: none
DOI: 10.1021/acs.jpclett.5c02222
OpenAlex: W4417430433

Match decisions

fingerprint merged · 1.00 · Run 18

2025 Roadmap on Advancements of the FHI-aims Software Package JuSER Publikationsportal version 2026 Roadmap on Advancements of the FHI-aims Software Package article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Roadmap on Advancements of the FHI-aims Software Package	Roadmap on advancements of the FHI-aims software package
year openalex	2025	2025
venue openalex	JuSER Publikationsportal	Electronic Structure
kind openalex	article	other
DOI openalex	10.34734/fzj-2025-05831
first author openalex	Abbott	Abbott

Citations

OpenAlex: 0
Scholar: 33
DOI: 10.34734/fzj-2025-05831
OpenAlex: W7118663988

Match decisions

fingerprint merged · 1.00 · Run 18

2024 An Expressway towards Heaven: High-Throughput Hybrid Density Functional Theory for Complex Condensed-Phase Systems Containing Thousands of Atoms using SeA APS March Meeting Abstracts 2024, W60 article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			An Expressway towards Heaven: High-Throughput Hybrid Density Functional Theory for Complex Condensed-Phase Systems Containing Thousands of Atoms using SeA
year scholar			2024
venue scholar			APS March Meeting Abstracts
kind scholar			other
first author scholar			Ko

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2024 Machine learning molecular conformational energies using semi-local density fingerprints APS March Meeting Abstracts 2024, T60 article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Machine learning molecular conformational energies using semi-local density fingerprints
year scholar			2024
venue scholar			APS March Meeting Abstracts
kind scholar			other
first author scholar			Yang

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2024 Substrate Induced van der Waals Force Effects on the Stability of Violet Phosphorus Advanced Materials Interfaces article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Substrate Induced van der Waals Force Effect on the Stability of Violet PhosphorousSubstrate Induced van der Waals Force Effects on the Stability of Violet Phosphorus	Substrate Induced van der Waals Force Effects on the Stability of Violet Phosphorus
year openalex	20232024	2024
venue openalex	arXiv (Cornell University)Advanced Materials Interfaces	Advanced Materials Interfaces
kind openalex	working_paperarticle	other
DOI openalex	10.48550/arxiv.2306.1768110.1002/admi.202400326
preprint DOI openalex	10.48550/arxiv.2306.17681
first author openalex	SinghSingh	Singh

Citations

OpenAlex: 6
Scholar: 4
DOI: 10.1002/admi.202400326
OpenAlex: W4400208899

Match decisions

preprint merged · 1.00 · Run 18

2024 Unambiguous and robust formulation for Wannier localization Physical review. B./Physical review. B article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	An unambiguous and robust formulation for Wannier localizationUnambiguous and robust formulation for Wannier localization	Unambiguous and robust formulation for Wannier localization
year openalex	20232024	2024
venue openalex	arXiv (Cornell University)Physical review. B./Physical review. B	Physical Review B
kind openalex	working_paperarticle	other
DOI openalex	10.48550/arxiv.2305.0992910.1103/physrevb.110.085127
preprint DOI openalex	10.48550/arxiv.2305.09929
first author openalex	LiLi	Li

Also recorded as

W4377090780 (DOI 10.48550/arxiv.2305.09929) · preprint · 2023 An unambiguous and robust formulation for Wannier localization

Citations

OpenAlex: 0
Scholar: 3
DOI: 10.1103/physrevb.110.085127
OpenAlex: W4401513357

Match decisions

preprint merged · 1.00 · Run 18

2024 Uniting non-empirical and empirical density functional approximation strategies with the constrained and smoothed empirical (CASE) framework APS March Meeting Abstracts 2024, F39 article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Uniting non-empirical and empirical density functional approximation strategies with the constrained and smoothed empirical (CASE) framework
year scholar			2024
venue scholar			APS March Meeting Abstracts
kind scholar			other
first author scholar			Sparrow

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2023 Exploring the suitability of narrow-bandgap compounds for thermoelectric application Physica Scripta article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Exploring the suitability of narrow-bandgap compounds for thermoelectric application	Exploring the suitability of narrow-bandgap compounds for thermoelectric application
year openalex	2023	2023
venue openalex	Physica Scripta	Physica Scripta
kind openalex	article	other
DOI openalex	10.1088/1402-4896/acd821
first author openalex	Popoola	Popoola

Citations

OpenAlex: 1
Scholar: 1
DOI: 10.1088/1402-4896/acd821
OpenAlex: W4377691360

Match decisions

fingerprint merged · 1.00 · Run 18

2023 “Freedom of design” in chemical compound space: towards rational in silico design of molecules with targeted quantum-mechanical properties Chemical Science version 2023 Freedom of design” in chemical compound space: towards rational in silico design of molec… article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	“Freedom of design” in chemical compound space: towards rational in silico design of molecules with targeted quantum-mechanical properties	“Freedom of design” in chemical compound space: towards rational in silico design of molecules with targeted quantum-mechanical properties
year openalex	2023	2023
venue openalex	Chemical Science	Chemical Science
kind openalex	article	other
DOI openalex	10.1039/d3sc03598k
first author openalex	Sandonas	Sandonas

Citations

OpenAlex: 17
Scholar: 17
Scholar with related records: 36
DOI: 10.1039/d3sc03598k
OpenAlex: W4385991823

Match decisions

fingerprint merged · 1.00 · Run 18

2023 High-Throughput Condensed-Phase Hybrid Density Functional Theory for Large-Scale Finite-Gap Systems: The SeA Approach Journal of Chemical Theory and Computation article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	High-Throughput Condensed-Phase Hybrid Density Functional Theory for Large-Scale Finite-Gap Systems: The SeA Approach	High-Throughput Condensed-Phase Hybrid Density Functional Theory for Large-Scale Finite-Gap Systems: The SeA Approach
year openalex	2023	2023
venue openalex	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind openalex	article	other
DOI openalex	10.1021/acs.jctc.2c00827
first author openalex	Ko	Ko

Citations

OpenAlex: 11
Scholar: 11
DOI: 10.1021/acs.jctc.2c00827
OpenAlex: W4382516038

Match decisions

fingerprint merged · 1.00 · Run 18

2023 Selected Columns of the Density Matrix in an Atomic Orbital Basis I: An Intrinsic and Non-iterative Orbital Localization Scheme for the Occupied Space Journal of Chemical Theory and Computation article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Selected Columns of the Density Matrix in an Atomic Orbital Basis I: An Intrinsic and Non-iterative Orbital Localization Scheme for the Occupied SpaceSelected Columns of the Density Matrix in an Atomic Orbital Basis I: An Intrinsic and Non-Iterative Orbital Localization Scheme for the Occupied Space	Selected columns of the density matrix in an atomic orbital basis I: An intrinsic and non-iterative orbital localization scheme for the occupied space
year openalex	20232021	2023
venue openalex	Journal of Chemical Theory and ComputationarXiv (Cornell University)	Journal of Chemical Theory and Computation
kind openalex	articleworking_paper	other
DOI openalex	10.1021/acs.jctc.1c0080110.48550/arxiv.2108.06399
preprint DOI openalex	10.48550/arxiv.2108.06399
first author openalex	FuemmelerFuemmeler	Fuemmeler

Also recorded as

W4287025370 (DOI 10.48550/arxiv.2108.06399) · preprint · 2021 Selected Columns of the Density Matrix in an Atomic Orbital Basis I: An Intrinsic and Non-Iterative Orbital Localization Scheme for the Occupied Space

Citations

OpenAlex: 7
Scholar: 7
DOI: 10.1021/acs.jctc.1c00801
OpenAlex: W3195902692

Match decisions

preprint merged · 1.00 · Run 18

2022 Chemically decomposed elastic properties from first principles: The elastic anomaly in PbTiO3 APS March Meeting Abstracts 2022, W71 article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Chemically decomposed elastic properties from first principles: The elastic anomaly in PbTiO3
year scholar			2022
venue scholar			APS March Meeting Abstracts
kind scholar			other
first author scholar			Khalsa

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2022 Electrocatalysis in alkaline media and alkaline membrane-based energy technologies Chemical Reviews article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Electrocatalysis in alkaline media and alkaline membrane-based energy technologies	Electrocatalysis in Alkaline Media and Alkaline Membrane-Based Energy Technologies	Electrocatalysis in alkaline media and alkaline membrane-based energy technologies
year cv	2022	2022	2022
venue crossref		Chemical Reviews	Chemical reviews	Chemical Reviews
kind cv	article	review	other
DOI crossref		10.1021/acs.chemrev.1c00331		10.1021/acs.chemrev.1c00331
first author openalex		Yang	Yang

Citations

OpenAlex: 534
Scholar: 554
DOI: 10.1021/acs.chemrev.1c00331
OpenAlex: W4210862584

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Elucidating Cathodic Corrosion Mechanisms with Operando Electrochemical Transmission Electron Microscopy Journal of the American Chemical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Elucidating Cathodic Corrosion Mechanisms with Operando Electrochemical Transmission Electron Microscopy	Elucidating cathodic corrosion mechanisms with operando electrochemical transmission electron microscopy
year openalex	2022	2022
venue openalex	Journal of the American Chemical Society	Journal of the American Chemical Society
kind openalex	article	other
DOI openalex	10.1021/jacs.2c05989
first author openalex	Yang	Yang

Citations

OpenAlex: 69
Scholar: 79
DOI: 10.1021/jacs.2c05989
OpenAlex: W4292117696

Match decisions

fingerprint merged · 1.00 · Run 18

2022 Fueling a Data-Driven Machine Learning Model for H3O+ and OH- Transport through Confined Aqueous Environments: A High-Throughput Order-N Framework … APS March Meeting Abstracts 2022, B48 article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Fueling a Data-Driven Machine Learning Model for H3O+ and OH- Transport through Confined Aqueous Environments: A High-Throughput Order-N Framework …
year scholar			2022
venue scholar			APS March Meeting Abstracts
kind scholar			other
first author scholar			Ko

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2022 Range-Separated Hybrid Functional Pseudopotentials APS March Meeting Abstracts 2022, N01 version 2023 Range-separated hybrid functional pseudopotentials article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Range-Separated Hybrid Functional Pseudopotentials
year scholar			2022
venue scholar			APS March Meeting Abstracts
kind scholar			other
first author scholar			Prokopiou

Citations

OpenAlex: none
Scholar: none
OpenAlex with related records: 9
Scholar with related records: 11

Match decisions

No decision recorded; a single record.

2022 Semi-Local Density Fingerprints for Machine Learning Molecular Properties, Intra-/Inter-molecular Interactions, and Chemical Reactions APS March Meeting Abstracts 2022, S01 article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Semi-Local Density Fingerprints for Machine Learning Molecular Properties, Intra-/Inter-molecular Interactions, and Chemical Reactions
year scholar			2022
venue scholar			APS March Meeting Abstracts
kind scholar			other
first author scholar			Yang

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2022 Towards a Realistic Description of H3O+ and OH- Transport through Confined Environments using Machine Learning and an Order-N Framework for Condensed … APS March Meeting Abstracts 2022, B48 article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Towards a Realistic Description of H3O+ and OH- Transport through Confined Environments using Machine Learning and an Order-N Framework for Condensed …
year scholar			2022
venue scholar			APS March Meeting Abstracts
kind scholar			other
first author scholar			Distasio

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2022 Uniting Nonempirical and Empirical Density Functional Approximation Strategies Using Constraint-Based Regularization The Journal of Physical Chemistry Letters article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Uniting Nonempirical and Empirical Density Functional Approximation Strategies Using Constraint-Based Regularization	Uniting nonempirical and empirical density functional approximation strategies using constraint-based regularization
year openalex	2022	2022
venue openalex	The Journal of Physical Chemistry Letters	The Journal of Physical Chemistry Letters
kind openalex	article	other
DOI openalex	10.1021/acs.jpclett.2c00643
first author openalex	Sparrow	Sparrow

Citations

OpenAlex: 10
Scholar: 12
DOI: 10.1021/acs.jpclett.2c00643
OpenAlex: W4286490922

Match decisions

fingerprint merged · 1.00 · Run 18

2021 Designer Potential Energy Surfaces via Magnetic Interactions Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Designer Potential Energy Surfaces via Magnetic Interactions	Designer Potential Energy Surfaces via Magnetic Interactions
year openalex	2021	2021
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	Yang	Yang

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W3131127796

Match decisions

fingerprint merged · 1.00 · Run 18

2021 Electron confinement meet electron delocalization: non-additivity and finite-size effects in the polarizabilities and dispersion coefficients of the fullerenes Physical Chemistry Chemical Physics article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Electron confinement meet electron delocalization: non-additivity and finite-size effects in the polarizabilities and dispersion coefficients of the fullerenes	Electron confinement meet electron delocalization: non-additivity and finite-size effects in the polarizabilities and dispersion coefficients of the fullerenes
year openalex	2021	2021
venue openalex	Physical Chemistry Chemical Physics	Physical Chemistry Chemical Physics
kind openalex	article	other
DOI openalex	10.1039/d0cp05638c
first author openalex	Lao	Lao

Citations

OpenAlex: 8
Scholar: 11
DOI: 10.1039/d0cp05638c
OpenAlex: W3134053479

Match decisions

fingerprint merged · 1.00 · Run 18

2021 Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory-Based Ab Initio Molecular Dynamics II: Extensions to the Isobaric–Isoenthalpic and Isobaric–Isothermal Ensembles Journal of Chemical Theory and Computation article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory-Based Ab Initio Molecular Dynamics II: Extensions to the Isobaric–Isoenthalpic and Isobaric–Isothermal Ensembles	Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory-Based Ab Initio Molecular Dynamics II: Extensions to the Isobaric–Isoenthalpic and …
year openalex	2021	2021
venue openalex	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind openalex	article	other
DOI openalex	10.1021/acs.jctc.0c01194
first author openalex	Ko	Ko

Citations

OpenAlex: 23
Scholar: 34
DOI: 10.1021/acs.jctc.0c01194
OpenAlex: W3098133400

Match decisions

gemini merged · 1.00 · Run 18 These records share the same title, DOI, and year for part II of the hybrid DFT ab initio molecular dynamics paper.

2021 Expeditious Synthesis of Aromatic-Free Piperidinium-Functionalized Polyethylene as Alkaline Anion Exchange Membranes Chemical Science article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Expeditious Synthesis of Aromatic-Free Piperidinium-Functionalized Polyethylene as Alkaline Anion Exchange Membranes	Expeditious synthesis of aromatic-free piperidinium-functionalized polyethylene as alkaline anion exchange membranes	Expeditious synthesis of aromatic-free piperidinium-functionalized polyethylene as alkaline anion exchange membranes
year cv	2021	2021	2021
venue crossref		Chemical Science	Chemical Science	Chemical Science
kind cv	article	article	other
DOI crossref		10.1039/d0sc05789d		10.1039/d0sc05789d
first author openalex		You	You

Citations

OpenAlex: 75
Scholar: 80
DOI: 10.1039/d0sc05789d
OpenAlex: W3127049656

Match decisions

fingerprint merged · 1.00 · Run 18

2021 NENCI-2020: A Large Benchmark Database of Non-Equilibrium Non-Covalent Interactions with an Emphasis on Close Contacts Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	NENCI-2020: A Large Benchmark Database of Non-Equilibrium Non-Covalent Interactions with an Emphasis on Close Contacts	NENCI-2020: A Large Benchmark Database of Non-Equilibrium Non-Covalent Interactions with an Emphasis on Close Contacts
year openalex	2021	2021
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	Sparrow	Sparrow

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W3164927870

Match decisions

gemini merged · 1.00 · Run 18 These records share the same title and meeting abstract details for NENCI-2020.

2021 NENCI-2021. I. A large benchmark database of non-equilibrium non-covalent interactions emphasizing close intermolecular contacts The Journal of Chemical Physics version NENCI-2021 Part I: A Large Benchmark Database of Non-Equilibrium Non-Covalent Interaction… article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	NENCI-2021 Part I: A Large Benchmark Database of Non-Equilibrium Non-Covalent Interactions Emphasizing Close Intermolecular ContactsNENCI-2021. I. A large benchmark database of non-equilibrium non-covalent interactions emphasizing close intermolecular contacts	NENCI-2021. I. A large benchmark database of non-equilibrium non-covalent interactions emphasizing close intermolecular contacts
year openalex	20212021	2021
venue openalex	arXiv (Cornell University)The Journal of Chemical Physics	The Journal of Chemical Physics
kind openalex	working_paperarticle	other
DOI openalex	10.48550/arxiv.2102.0235410.1063/5.0068862
preprint DOI openalex	10.48550/arxiv.2102.02354
first author openalex	SparrowSparrow	Sparrow

Citations

OpenAlex: 33
Scholar: 44
OpenAlex with related records: 35
Scholar with related records: 47
DOI: 10.1063/5.0068862
OpenAlex: W3212578647

Match decisions

gemini merged · 1.00 · Run 18 These records share the same title and meeting abstract details for NENCI-2020.

2021 QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules Scientific data article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title scholar	QM7-X: A comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules	QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules
year scholar	2020	2021
venue scholar	arXiv (Cornell University)	Scientific data
kind scholar	working_paper	other
DOI openalex	10.48550/arxiv.2006.15139
preprint DOI	10.48550/arxiv.2006.15139
first author scholar	Hoja	Hoja

Citations

OpenAlex: 122
Scholar: 228
DOI: 10.48550/arxiv.2006.15139
OpenAlex: W3126732720

Match decisions

preprint 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 Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	CrossRef
title cv	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	2021	2021
venue crossref		The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	article
DOI cv	10.1063/5.0055522	10.1063/5.0055522
first author openalex		Epifanovsky

Citations

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

Match decisions

No decision recorded; a single record.

2021 Towards an Accurate and Efficient Order- N Framework for Real-Space Condensed-Phase Hybrid Density Functional Theory Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Towards an Accurate and Efficient Order- N Framework for Real-Space Condensed-Phase Hybrid Density Functional Theory	Towards an Accurate and Efficient Order-N Framework for Real-Space Condensed-Phase Hybrid Density Functional Theory
year openalex	2021	2021
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	DiStasio	Distasio

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W3145010965

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Area-selective atomic layer deposition enabled by competitive adsorption Journal of Vacuum Science & Technology A Vacuum Surfaces and Films article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Area-selective atomic layer deposition enabled by competitive adsorption	Area-selective atomic layer deposition enabled by competitive adsorption
year openalex	2020	2020
venue openalex	Journal of Vacuum Science & Technology A Vacuum Surfaces and Films	Journal of Vacuum Science & Technology A
kind openalex	article	other
DOI openalex	10.1116/6.0000497
first author openalex	Suh	Suh

Citations

OpenAlex: 23
Scholar: 26
DOI: 10.1116/6.0000497
OpenAlex: W3103855990

Match decisions

gemini merged · 1.00 · Run 18 These records share the same title, DOI, and year for the Journal of Vacuum Science & Technology A publication.

2020 Attracting Opposites: Promiscuous Ion-π Binding in the Nucleobases The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 140–141 · CV · published

14060. B. G. Ernst, K. U. Lao, A. G. Sullivan, and R. A. DiStasio Jr.*, Attracting Opposites: Promiscuous Ion-π Binding in141the Nucleobases. J. Phys. Chem. A 124, 4128 (2020).

Institution fields

Peer reviewed: yes
First author: Ernst
Co-authors: B. G. Ernst; K. U. Lao; A. G. Sullivan; R. A. DiStasio Jr.*
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Attracting Opposites: Promiscuous Ion-π Binding in the Nucleobases	Attracting Opposites: Promiscuous Ion−π Binding in the NucleobasesAttracting Opposites: Promiscuous Ion-π Binding in the DNA Nucleobases	Attracting Opposites: Promiscuous Ion− π Binding in the Nucleobases
year cv	2020	20202020	2020
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry ABulletin of the American Physical Society	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	articlearticle	other
DOI crossref	10.1021/acs.jpca.0c02766	10.1021/acs.jpca.0c02766
first author openalex	Ernst	ErnstErnst	Ernst

Also recorded as

W3088275083 · same title · 2020 Attracting Opposites: Promiscuous Ion-π Binding in the DNA Nucleobases

Citations

OpenAlex: 8
Scholar: 13
DOI: 10.1021/acs.jpca.0c02766
OpenAlex: W3013162259

Match decisions

doi merged · 1.00 · Run 18

2020 Competitive Adsorption as a Route to Area-Selective Deposition ACS Applied Materials & Interfaces article journal CV OA GS

CV span

lines 155–156 · CV · published

15556. T. Suh, Y. Yang, P. Zhao, K. U. Lao, H.-Y. Ko, J. Wong, R. A. DiStasio Jr.*, and J. R. Engstrom*, Competitive156Adsorption as a Route to Area-Selective Deposition. ACS Appl. Mater. Interfaces 12, 9989 (2020).

Institution fields

Peer reviewed: yes
First author: Suh
Co-authors: T. Suh; Y. Yang; P. Zhao; K. U. Lao; H.-Y. Ko; J. Wong; R. A. DiStasio Jr.*; J. R. Engstrom*
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Competitive Adsorption as a Route to Area-Selective Deposition	Competitive Adsorption as a Route to Area-Selective Deposition	Competitive adsorption as a route to area-selective deposition
year cv	2020	2020	2020
venue crossref	ACS Appl. Mater. Interfaces	ACS Applied Materials & Interfaces	ACS applied materials & interfaces	ACS Applied Materials & Interfaces
kind cv	article	article	other
DOI crossref	10.1021/acsami.9b22065	10.1021/acsami.9b22065
first author openalex	Suh	Suh	Suh

Citations

OpenAlex: 27
Scholar: 42
DOI: 10.1021/acsami.9b22065
OpenAlex: W3006424184

Match decisions

gemini merged · 1.00 · Run 18 These records share the same title, DOI, and year for the Journal of Vacuum Science & Technology A publication.

2020 Dual Electrocatalysis Enables Enantioselective Hydrocyanation of Conjugated Alkenes Nature Chemistry article journal CV OA GS

CV span

lines 137–138 · CV · published

13761. L. Song, N. Fu, B. G. Ernst, W. H. Lee, M. O. Frederick, R. A. DiStasio Jr.*, and S. Lin*, Dual Electrocatalysis Enables138Enantioselective Hydrocyanation of Conjugated Alkenes. Nat. Chem. 12, 747 (2020).

Institution fields

Peer reviewed: yes
First author: Song
Co-authors: L. Song; N. Fu; B. G. Ernst; W. H. Lee; M. O. Frederick; R. A. DiStasio Jr.*; S. Lin*
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Dual Electrocatalysis Enables Enantioselective Hydrocyanation of Conjugated Alkenes	Dual electrocatalysis enables enantioselective hydrocyanation of conjugated alkenesDual Electrocatalysis Enables Enantioselective Hydrocyanation of Conjugated AlkenesDual Electrocatalysis Enables Enantioselective Hydrocyanation of Conjugated Alkenes	Dual electrocatalysis enables enantioselective hydrocyanation of conjugated alkenes
year cv	2020	202020192019	2020
venue crossref	Nat. Chem.	Nature ChemistryChemRxivChemRxiv	Nature Chemistry	Nature Chemistry
kind cv	article	articleworking_paperworking_paper	other
DOI crossref	10.1038/s41557-020-0469-5	10.1038/s41557-020-0469-510.26434/chemrxiv.9784625.v110.26434/chemrxiv.9784625
preprint DOI openalex		10.26434/chemrxiv.9784625.v110.26434/chemrxiv.9784625
first author openalex	Song	LuLuLu	Song

Also recorded as

W4239939533 (DOI 10.26434/chemrxiv.9784625) · preprint · 2019

Citations

OpenAlex: 309
Scholar: 299
OpenAlex with related records: 331
DOI: 10.1038/s41557-020-0469-5
OpenAlex: W3038028435

Match decisions

doi merged · 1.00 · Run 18

2020 Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 151–153 · CV · published

15157. H.-Y. Ko, J. Jia, B. Santra, X. Wu, R. Car, and R. A. DiStasio Jr.*, Enabling Large-Scale Condensed-Phase Hybrid152Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance. J. Chem.153Theory Comput. 16, 3757 (2020).

Institution fields

Peer reviewed: yes
First author: Ko
Co-authors: H.-Y. Ko; J. Jia; B. Santra; X. Wu; R. Car; R. A. DiStasio Jr.*
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance	Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance	Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance
year cv	2020	2020	2020
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	article	other
DOI crossref	10.1021/acs.jctc.9b01167	10.1021/acs.jctc.9b01167
first author openalex	Ko	Ko	Ko

Citations

OpenAlex: 56
Scholar: 69
DOI: 10.1021/acs.jctc.9b01167
OpenAlex: W2990061397

Match decisions

gemini merged · 1.00 · Run 18 These records share the same title, DOI, and year for part II of the hybrid DFT ab initio molecular dynamics paper.

2020 Exploiting Orbital Locality in Real Space to Enable Large-Scale Condensed-Phase Ab Initio Molecular Dynamics with Hybrid Density Functional Theory Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Exploiting Orbital Locality in Real Space to Enable Large-Scale Condensed-Phase Ab Initio Molecular Dynamics with Hybrid Density Functional Theory	Exploiting Orbital Locality in Real Space to Enable Large-Scale Condensed-Phase Ab Initio Molecular Dynamics with Hybrid Density Functional Theory
year openalex	2020	2020
venue openalex	Bulletin of the American Physical Society	Bulletin of the American Physical Society
kind openalex	article	other
first author openalex	DiStasio	Distasio

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W3091120820

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Exploring the quantum chemical space of small molecules: QM7-X database 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 scholar			Exploring the quantum chemical space of small molecules: QM7-X database
year scholar			2020
venue scholar			Bulletin of the American Physical Society
kind scholar			other
first author scholar			Hoja

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2020 Improving the Scalability of Condensed-Phase Hybrid Density Functional Theory: Computation, Communication, and Load Balancing Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Improving the Scalability of Condensed-Phase Hybrid Density Functional Theory: Computation, Communication, and Load Balancing	Improving the Scalability of Condensed-Phase Hybrid Density Functional Theory: Computation, Communication, and Load Balancing
year openalex	2020	2020
venue openalex	Bulletin of the American Physical Society	APS March Meeting
kind openalex	article	other
first author openalex	Ko	Ko

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W3216052370

Match decisions

fingerprint merged · 1.00 · Run 18

2020 NENCI-2020: A Large Benchmark Non-Equilibrium Non-Covalent Interaction Database with Emphasis on the Repulsive Wall Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	NENCI-2020: A Large Benchmark Non-Equilibrium Non-Covalent Interaction Database with Emphasis on the Repulsive Wall	NENCI-2020: A Large Benchmark Non-Equilibrium Non-Covalent Interaction Database with Emphasis on the Repulsive Wall
year openalex	2020	2020
venue openalex	Bulletin of the American Physical Society	Bulletin of the American Physical Society
kind openalex	article	other
first author openalex	Sparrow	Sparrow

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W3089003006

Match decisions

fingerprint merged · 1.00 · Run 18

2020 On the higher-order static polarizabilities and dispersion coefficients of the fullerenes: An ab initio study ChemRxiv article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title scholar	On the Higher-Order Static Polarizabilities and Dispersion Coefficients of the Fullerenes: An Ab Initio StudyOn the Higher-Order Static Polarizabilities and Dispersion Coefficients of the Fullerenes: An Ab Initio Study	On the higher-order static polarizabilities and dispersion coefficients of the fullerenes: An ab initio study
year scholar	20202020	2020
venue scholar	ChemRxivChemRxiv	ChemRxiv
kind scholar	working_paperworking_paper	other
DOI openalex	10.26434/chemrxiv.12940652.v110.26434/chemrxiv.12940652
preprint DOI openalex	10.26434/chemrxiv.12940652.v110.26434/chemrxiv.12940652
first author scholar	LaoLao	Lao

Also recorded as

W4247379466 (DOI 10.26434/chemrxiv.12940652) · preprint · 2020 On the Higher-Order Static Polarizabilities and Dispersion Coefficients of the Fullerenes: An Ab Initio Study

Citations

OpenAlex: 2
Scholar: 2
DOI: 10.26434/chemrxiv.12940652.v1
OpenAlex: W4243013285

Match decisions

preprint merged · 1.00 · Run 18

2020 Oxyaapa: A Picolinate-Based Ligand with Five Oxygen Donors thatStrongly Chelates Lanthanides Inorganic Chemistry article journal CV OA GS

CV span

lines 143–145 · CV · published

14359. A. Hu, I. Keresztes, S. N. MacMillan, Y. Yang, E. Ding, W. R. Zipfel, R. A. DiStasio Jr., J. W. Babich, and J. J. Wilson,144Oxyaapa: A Picolinate-Based Ligand with Five Oxygen Donors thatStrongly Chelates Lanthanides. Inorg. Chem. 59,1455116 (2020).

Institution fields

Peer reviewed: yes
First author: Hu
Co-authors: A. Hu; I. Keresztes; S. N. MacMillan; Y. Yang; E. Ding; W. R. Zipfel; R. A. DiStasio Jr.; J. W. Babich; J. J. Wilson
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Oxyaapa: A Picolinate-Based Ligand with Five Oxygen Donors thatStrongly Chelates Lanthanides	Oxyaapa: A Picolinate-Based Ligand with Five Oxygen Donors that Strongly Chelates Lanthanides	Oxyaapa: a picolinate-based ligand with five oxygen donors that strongly chelates lanthanides
year cv	2020	2020	2020
venue crossref	Inorg. Chem.	Inorganic Chemistry	Inorganic chemistry	Inorganic Chemistry
kind cv	article	article	other
DOI crossref	10.1021/acs.inorgchem.0c00372	10.1021/acs.inorgchem.0c00372
first author openalex	Hu	Hu	Hu

Citations

OpenAlex: 27
Scholar: 28
DOI: 10.1021/acs.inorgchem.0c00372
OpenAlex: W3013319114

Match decisions

doi merged · 1.00 · Run 18

2020 Predicting Molecular Dipole Moments by Combining Atomic Partial Charges and Atomic Dipoles The Journal of Chemical Physics article journal CV OA GS

CV span

lines 134–135 · CV · published

13462. M. Veit, D. M. Wilkins, Y. Yang, R. A. DiStasio Jr.*, and M. Ceriotti*, Predicting Molecular Dipole Moments by135Combining Atomic Partial Charges and Atomic Dipoles. J. Chem. Phys. 153, 024113 (2020).

Institution fields

Peer reviewed: yes
First author: Veit
Co-authors: M. Veit; D. M. Wilkins; Y. Yang; R. A. DiStasio Jr.*; M. Ceriotti*
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Predicting Molecular Dipole Moments by Combining Atomic Partial Charges and Atomic Dipoles	Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles
year cv	2020	2020
venue crossref	J. Chem. Phys.	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/5.0009106
first author cv	Veit	Veit

Citations

OpenAlex: none
Scholar: 172
DOI: 10.1063/5.0009106

Match decisions

fingerprint merged · 1.00 · Run 18

2020 Tuning the Mechanical Properties of Metallopolymers via Ligand Interactions: A Combined Experimental and Theoretical Study Macromolecules article journal CV OA GS

CV span

lines 147–149 · CV · published

14758. Y. Vidavsky, M. R. Buche, Z. M. Sparrow, X. Zhang, S. J. Yang, R. A. DiStasio Jr.*, and M. N. Silberstein*, Tuning148the Mechanical Properties of Metallopolymers via Ligand Interactions: A Combined Experimental and Theoretical Study.149Macromolecules 53, 2021 (2020).

Institution fields

Peer reviewed: yes
First author: Vidavsky
Co-authors: Y. Vidavsky; M. R. Buche; Z. M. Sparrow; X. Zhang; S. J. Yang; R. A. DiStasio Jr.*; M. N. Silberstein*
Subfield: other
Method: mixed
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Tuning the Mechanical Properties of Metallopolymers via Ligand Interactions: A Combined Experimental and Theoretical Study	Tuning the Mechanical Properties of Metallopolymers via Ligand Interactions: A Combined Experimental and Theoretical Study	Tuning the mechanical properties of metallopolymers via ligand interactions: A combined experimental and theoretical study
year cv	2020	2020	2020
venue crossref	Macromolecules	Macromolecules	Macromolecules
kind cv	article	article	other
DOI crossref	10.1021/acs.macromol.9b02756	10.1021/acs.macromol.9b02756
first author openalex	Vidavsky	Vidavsky	Vidavsky

Citations

OpenAlex: 31
Scholar: 47
DOI: 10.1021/acs.macromol.9b02756
OpenAlex: W3009356356

Match decisions

doi merged · 1.00 · Run 18

2019 Accurate Molecular Polarizabilities with Coupled-Cluster Theory and Machine Learning Proceedings of the National Academy of Sciences version 2021 Accurate Molecular Polarizabilities with Coupled Cluster Theory and Machine Learning article journal CV OA GS

CV span

lines 164–165 · CV · published

16453. D. M. Wilkins, A. Grisaﬁ, Y. Yang, K. U. Lao, R. A. DiStasio Jr.*, and M. Ceriotti*, Accurate Molecular Polarizabilities165with Coupled-Cluster Theory and Machine Learning. Proc. Natl. Acad. Sci. USA 116, 3401 (2019).

Institution fields

Peer reviewed: yes
First author: Wilkins
Co-authors: D. M. Wilkins; A. Grisaﬁ; Y. Yang; K. U. Lao; R. A. DiStasio Jr.*; M. Ceriotti*
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Accurate Molecular Polarizabilities with Coupled-Cluster Theory and Machine Learning	Accurate molecular polarizabilities with coupled cluster theory and machine learningAccurate molecular polarizabilities with coupled-cluster theory and machine learning	Accurate molecular polarizabilities with coupled cluster theory and machine learning
year cv	2019	20192018	2019
venue crossref	Proc. Natl. Acad. Sci. USA	Proceedings of the National Academy of SciencesarXiv (Cornell University)	Proceedings of the National Academy of Sciences	Proceedings of the National Academy of Sciences
kind cv	article	articleworking_paper	other
DOI crossref	10.1073/pnas.1816132116	10.1073/pnas.181613211610.48550/arxiv.1809.05337
preprint DOI openalex		10.48550/arxiv.1809.05337
first author openalex	Wilkins	WilkinsWilkins	Wilkins

Citations

OpenAlex: 212
Scholar: 255
OpenAlex with related records: 213
DOI: 10.1073/pnas.1816132116
OpenAlex: W2891523768

Match decisions

doi merged · 1.00 · Run 18

2019 Attacking the Strong and Weak Scaling Limits in Linear Scaling Hybrid Density Functional Theory Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Attacking the Strong and Weak Scaling Limits in Linear Scaling Hybrid Density Functional Theory	Attacking the Strong and Weak Scaling Limits in Linear Scaling Hybrid Density Functional Theory
year openalex	2019	2019
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	DiStasio	Distasio

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W2942610484

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Enabling Large-Scale Isobaric-Isothermal Hybrid Density Functional Theory Simulations in the Condensed Phase Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Enabling Large-Scale Isobaric-Isothermal Hybrid Density Functional Theory Simulations in the Condensed Phase	Enabling Large-Scale Isobaric-Isothermal Hybrid Density Functional Theory Simulations in the Condensed Phase
year openalex	2019	2019
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	Ko	Ko

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W2941121415

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Inﬂuence of Pore Size on the van der Waals Interaction in Two-Dimensional Molecules and Materials Physical Review Letters article journal CV OA GS

CV span

lines 170–171 · CV · published

17051. Y. Yang, K. U. Lao, and R. A. DiStasio Jr.*, Inﬂuence of Pore Size on the van der Waals Interaction in Two-Dimensional171Molecules and Materials. Phys. Rev. Lett. 122, 026001 (2019).

Institution fields

Peer reviewed: yes
First author: Yang
Co-authors: Y. Yang; K. U. Lao; R. A. DiStasio Jr.*
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Inﬂuence of Pore Size on the van der Waals Interaction in Two-Dimensional Molecules and Materials	Influence of Pore Size on the van der Waals Interaction in Two-Dimensional Molecules and MaterialsInfluence of Pore Size on the van der Waals Interaction in Two-Dimensional Molecules and Materials	Influence of pore size on the van der Waals interaction in two-dimensional molecules and materials
year cv	2019	20192021	2019
venue crossref	Phys. Rev. Lett.	Physical Review LettersBulletin of the American Physical Society	Physical Review Letters	Physical Review Letters
kind cv	article	articlearticle	other
DOI crossref	10.1103/physrevlett.122.026001	10.1103/physrevlett.122.026001
first author openalex	Yang	YangYang	Yang

Also recorded as

W3153940641 · same title · 2021 Influence of Pore Size on the van der Waals Interaction in Two-Dimensional Molecules and Materials

Citations

OpenAlex: 20
Scholar: 26
DOI: 10.1103/physrevlett.122.026001
OpenAlex: W2908542614

Match decisions

doi merged · 1.00 · Run 18

2019 Isotope Eﬀects in Liquid Water via Deep Potential Molecular Dynamics Molecular Physics preprint 2019 Isotope Effects in Liquid Water via Deep Potential Molecular Dynamics article journal CV OA GS

CV span

lines 158–159 · CV · published

15855. H.-Y. Ko, L. Zhang, B. Santra, H. Wang, W. E, R. A. DiStasio Jr., and R. Car, Isotope Eﬀects in Liquid Water via159Deep Potential Molecular Dynamics. Mol. Phys. 117, 3269 (2019).

Institution fields

Peer reviewed: yes
First author: Ko
Co-authors: H.-Y. Ko; L. Zhang; B. Santra; H. Wang; W. E; R. A. DiStasio Jr.; R. Car
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Isotope Eﬀects in Liquid Water via Deep Potential Molecular Dynamics	Isotope effects in liquid water via deep potential molecular dynamics	Isotope effects in liquid water via deep potential molecular dynamics
year cv	2019	2019	2019
venue crossref	Mol. Phys.	Molecular Physics	Molecular Physics	Molecular Physics
kind cv	article	article	other
DOI crossref	10.1080/00268976.2019.1652366	10.1080/00268976.2019.1652366
first author openalex	Ko	Ko	Ko

Citations

OpenAlex: 77
Scholar: 70
DOI: 10.1080/00268976.2019.1652366
OpenAlex: W2980902481

Match decisions

doi merged · 1.00 · Run 18

2019 Quantum Chemistry Simulations for Dynamic Network Polymers Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Quantum Chemistry Simulations for Dynamic Network Polymers	Quantum Chemistry Simulations for Dynamic Network Polymers
year openalex	2019	2019
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	Buche	Buche

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W2947466438

Match decisions

fingerprint merged · 1.00 · Run 18

2019 Quantum Mechanical Static Dipole Polarizabilities in the QM7b and AlphaML Showcase Databases Scientific Data article journal CV OA GS

CV span

lines 161–162 · CV · published

16154. Y. Yang, K. U. Lao, D. M. Wilkins, A. Grisaﬁ, M. Ceriotti*, and R. A. DiStasio Jr.*, Quantum Mechanical Static162Dipole Polarizabilities in the QM7b and AlphaML Showcase Databases. Sci. Data 6, 152 (2019).

Institution fields

Peer reviewed: yes
First author: Yang
Co-authors: Y. Yang; K. U. Lao; D. M. Wilkins; A. Grisaﬁ; M. Ceriotti*; R. A. DiStasio Jr.*
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Quantum Mechanical Static Dipole Polarizabilities in the QM7b and AlphaML Showcase Databases	Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases	Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases
year cv	2019	2019	2019
venue crossref	Sci. Data	Scientific Data	Scientific data	Scientific Data
kind cv	article	other	other
DOI crossref	10.1038/s41597-019-0157-8	10.1038/s41597-019-0157-8
first author openalex	Yang	Yang	Yang

Citations

OpenAlex: 50
Scholar: 65
DOI: 10.1038/s41597-019-0157-8
OpenAlex: W2969577483

Match decisions

doi merged · 1.00 · Run 18

2019 Reliable and Practical Computational Description of Molecular Crystal Polymorphs Science Advances article journal CV OA GS

CV span

lines 167–168 · CV · published

16752. J. Hoja, H.-Y. Ko, M. A. Neumann, R. Car, R. A. DiStasio Jr., and A. Tkatchenko, Reliable and Practical Computational168Description of Molecular Crystal Polymorphs. Sci. Adv. 5, eaau3338 (2019).

Institution fields

Peer reviewed: yes
First author: Hoja
Co-authors: J. Hoja; H.-Y. Ko; M. A. Neumann; R. Car; R. A. DiStasio Jr.; A. Tkatchenko
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Reliable and Practical Computational Description of Molecular Crystal Polymorphs	Reliable and practical computational description of molecular crystal polymorphs
year cv	2019	2019
venue crossref	Sci. Adv.	Science Advances	Science Advances
kind cv	article	other
DOI crossref	10.1126/sciadv.aau3338
first author cv	Hoja	Hoja

Citations

OpenAlex: none
Scholar: 277
DOI: 10.1126/sciadv.aau3338

Match decisions

fingerprint merged · 1.00 · Run 18

2018 Attacking the strong scaling limit in linear scaling hybrid density functional theory 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			Attacking the strong scaling limit in linear scaling hybrid density functional theory
year scholar			2018
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Jia

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2018 Coherent, Atomically Thin Transition-Metal Dichalcogenide Superlattices with Engineered Strain Science article journal CV OA GS

CV span

lines 198–200 · CV · published

19843. S. Xie, L. Tu, Y. Han, L. Huang, K. Kang, K. U. Lao, P. Poddar, C. Park, D. A. Muller, R. A. DiStasio Jr., and J.199Park, Coherent, Atomically Thin Transition-Metal Dichalcogenide Superlattices with Engineered Strain. Science 359, 1131200(2018).

Institution fields

Peer reviewed: yes
First author: Xie
Co-authors: S. Xie; L. Tu; Y. Han; L. Huang; K. Kang; K. U. Lao; P. Poddar; C. Park; D. A. Muller; R. A. DiStasio Jr.; J. Park
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Coherent, Atomically Thin Transition-Metal Dichalcogenide Superlattices with Engineered Strain	Coherent Atomically-Thin Superlattices with Engineered StrainCoherent, atomically thin transition-metal dichalcogenide superlattices with engineered strain	Coherent, atomically thin transition-metal dichalcogenide superlattices with engineered strain
year cv	2018	20172018	2018
venue crossref	Science	arXiv (Cornell University)Science	Science
kind cv	article	working_paperarticle	other
DOI crossref	10.1126/science.aao5360	10.48550/arxiv.1708.0953910.1126/science.aao5360
preprint DOI openalex		10.48550/arxiv.1708.09539
first author openalex	Xie	XieXie	Xie

Citations

OpenAlex: 344
Scholar: 445
OpenAlex with related records: 346
DOI: 10.1126/science.aao5360
OpenAlex: W2792347500

Match decisions

doi merged · 1.00 · Run 18

2018 Exploiting Molecular Weight Distribution Shape to Tune Domain Spacing in Block Copolymer Thin Films Journal of the American Chemical Society article journal CV OA GS

CV span

lines 195–196 · CV · published

19544. D. T. Gentekos, J. Jia, E. S. Tirado, K. P. Barteau, R. A. DiStasio Jr.*, and B. P. Fors*, Exploiting Molecular Weight196Distribution Shape to Tune Domain Spacing in Block Copolymer Thin Films. J. Am. Chem. Soc. 140, 4639 (2018).

Institution fields

Peer reviewed: yes
First author: Gentekos
Co-authors: D. T. Gentekos; J. Jia; E. S. Tirado; K. P. Barteau; R. A. DiStasio Jr.*; B. P. Fors*
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Exploiting Molecular Weight Distribution Shape to Tune Domain Spacing in Block Copolymer Thin Films	Exploiting Molecular Weight Distribution Shape to Tune Domain Spacing in Block Copolymer Thin Films	Exploiting molecular weight distribution shape to tune domain spacing in block copolymer thin films
year cv	2018	2018	2018
venue crossref	J. Am. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/jacs.8b00694	10.1021/jacs.8b00694
first author openalex	Gentekos	Gentekos	Gentekos

Citations

OpenAlex: 123
Scholar: 129
DOI: 10.1021/jacs.8b00694
OpenAlex: W2793718405

Match decisions

doi merged · 1.00 · Run 18

2018 Hydroxide Diﬀuses Slower than Hydronium in Water Because its Solvated Structure Inhibits Correlated Proton Transfer Nature Chemistry article journal CV OA GS

CV span

lines 191–193 · CV · published

19145. M. Chen, L. Zheng, B. Santra, H.-Y. Ko, R. A. DiStasio Jr., M. L. Klein, R. Car, and X. Wu, Hydroxide Diﬀuses192Slower than Hydronium in Water Because its Solvated Structure Inhibits Correlated Proton Transfer. Nat. Chem. 10, 413193(2018).

Institution fields

Peer reviewed: yes
First author: Chen
Co-authors: M. Chen; L. Zheng; B. Santra; H.-Y. Ko; R. A. DiStasio Jr.; M. L. Klein; R. Car; X. Wu
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Hydroxide Diﬀuses Slower than Hydronium in Water Because its Solvated Structure Inhibits Correlated Proton Transfer	Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer	Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer
year cv	2018	2018	2018
venue crossref	Nat. Chem.	Nature Chemistry	Nature chemistry	Nature Chemistry
kind cv	article	article	other
DOI crossref	10.1038/s41557-018-0010-2	10.1038/s41557-018-0010-2
first author openalex	Chen	Chen	Chen

Citations

OpenAlex: 293
Scholar: 321
DOI: 10.1038/s41557-018-0010-2
OpenAlex: W3104742625

Match decisions

doi merged · 1.00 · Run 18

2018 Less is more: An unexpected structure-property relationship in furan-based sustainable polymers 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			Less is more: An unexpected structure-property relationship in furan-based sustainable polymers
year scholar			2018
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Yu

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2018 Multipole polarizabilities and dispersion coefficients for gas-and condensed-phase molecules and nanostructures 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			Multipole polarizabilities and dispersion coefficients for gas-and condensed-phase molecules and nanostructures
year scholar			2018
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Lao

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2018 Multipole polarizabilities at the linear response coupled cluster level 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			Multipole polarizabilities at the linear response coupled cluster level
year scholar			2018
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Lao

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2018 Non-covalent Interactions across Organic and Biological Subsets of Chemical Space: Physics-Based Potentials Parameterized from Machine Learning The Journal of Chemical Physics article CV OA GS

CV span

lines 181–183 · CV · published

18148. T. Bereau, R. A. DiStasio Jr., A. Tkatchenko, and O. A. von Lilienfeld, Non-covalent Interactions across Organic and182Biological Subsets of Chemical Space: Physics-Based Potentials Parameterized from Machine Learning. J. Chem. Phys.183148, 241706b (2018).

Institution fields

Peer reviewed: yes
First author: Bereau
Co-authors: T. Bereau; R. A. DiStasio Jr.; A. Tkatchenko; O. A. von Lilienfeld
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Non-covalent Interactions across Organic and Biological Subsets of Chemical Space: Physics-Based Potentials Parameterized from Machine Learning	Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized from machine learning	Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized from machine learning
year cv	2018	2017	2018
venue crossref	J. Chem. Phys.	Max Planck Digital Library	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	article	other
DOI crossref	10.1063/1.5009502	10.48550/arxiv.1710.05871
preprint DOI openalex		10.48550/arxiv.1710.05871
first author cv	Bereau	Bereau	Bereau

Citations

OpenAlex: 1
Scholar: 223
DOI: 10.1063/1.5009502
OpenAlex: W2903235492

Match decisions

preprint merged · 1.00 · Run 18

2018 On the Geometric Dependence of the Molecular Dipole Polarizability in Water: A Benchmark Study of Higher-Order Electron Correlation, Basis Set Incompleteness Error, Core Electron Eﬀects, and Zero-Point Vibrational Contributions The Journal of Chemical Physics article journal CV OA GS

CV span

lines 173–175 · CV · published

17350. K. U. Lao, J. Jia, R. Maitra, and R. A. DiStasio Jr.*, On the Geometric Dependence of the Molecular Dipole Polarizability174in Water: A Benchmark Study of Higher-Order Electron Correlation, Basis Set Incompleteness Error, Core Electron175Eﬀects, and Zero-Point Vibrational Contributions. J. Chem. Phys. 149, 204303 (2018).

Institution fields

Peer reviewed: yes
First author: Lao
Co-authors: K. U. Lao; J. Jia; R. Maitra; R. A. DiStasio Jr.*
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	On the Geometric Dependence of the Molecular Dipole Polarizability in Water: A Benchmark Study of Higher-Order Electron Correlation, Basis Set Incompleteness Error, Core Electron Eﬀects, and Zero-Point Vibrational Contributions	On the geometric dependence of the molecular dipole polarizability in water: A benchmark study of higher-order electron correlation, basis set incompleteness error, core electron effects, and zero-point vibrational contributions	On the geometric dependence of the molecular dipole polarizability in water: A benchmark study of higher-order electron correlation, basis set incompleteness error, core …
year cv	2018	2018	2018
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 crossref	10.1063/1.5051458	10.1063/1.5051458
first author openalex	Lao	Lao	Lao

Citations

OpenAlex: 19
Scholar: 20
DOI: 10.1063/1.5051458
OpenAlex: W2902272193

Match decisions

doi merged · 1.00 · Run 18

2018 Perturbed Path Integrals in Imaginary Time: Eﬃciently Modeling Nuclear Quantum Eﬀects in Molecules and Materials The Journal of Chemical Physics article journal CV OA GS

CV span

lines 188–189 · CV · published

18846. I. Poltavsky, R. A. DiStasio Jr., and A. Tkatchenko, Perturbed Path Integrals in Imaginary Time: Eﬃciently Modeling189Nuclear Quantum Eﬀects in Molecules and Materials. J. Chem. Phys. 148, 102325 (2018).

Institution fields

Peer reviewed: yes
First author: Poltavsky
Co-authors: I. Poltavsky; R. A. DiStasio Jr.; A. Tkatchenko
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Perturbed Path Integrals in Imaginary Time: Eﬃciently Modeling Nuclear Quantum Eﬀects in Molecules and Materials	Perturbed path integrals in imaginary time: Efficiently modeling nuclear quantum effects in molecules and materials	Perturbed path integrals in imaginary time: Efficiently modeling nuclear quantum effects in molecules and materials
year cv	2018	2017	2018
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 crossref	10.1063/1.5006596	10.1063/1.5006596
first author openalex	Poltavsky	Poltavsky	Poltavsky

Citations

OpenAlex: 14
Scholar: 17
DOI: 10.1063/1.5006596
OpenAlex: W2775801968

Match decisions

doi merged · 1.00 · Run 18

2018 QE: Quantum opEn-Source Package for Research in Electronic Structure, Simulation, and Optimization Astrophysics Source Code Library article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	QE: Quantum opEn-Source Package for Research in Electronic Structure, Simulation, and Optimization	QE: Quantum opEn-Source Package for Research in Electronic Structure, Simulation, and Optimization
year openalex	2018	2018
venue openalex	Astrophysics Source Code Library	Astrophysics Source Code Library, ascl:
kind openalex	article	other
first author openalex	Giannozzi	Giannozzi

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W3011032125

Match decisions

fingerprint merged · 1.00 · Run 18

2018 Rational Design of Stealthy Hyperuniform Two-Phase Media with Tunable Order Physical Review E article journal CV OA GS

CV span

lines 202–203 · CV · published

20242. R. A. DiStasio Jr., G. Zhang, F. H. Stillinger, and S. Torquato Rational Design of Stealthy Hyperuniform Two-Phase203Media with Tunable Order. Phys. Rev. E 97, 023311 (2018).

Institution fields

Peer reviewed: yes
First author: DiStasio
Co-authors: R. A. DiStasio Jr.; G. Zhang; F. H. Stillinger; S. Torquato
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Rational Design of Stealthy Hyperuniform Two-Phase Media with Tunable Order	Rational design of stealthy hyperuniform two-phase media with tunable order	Rational design of stealthy hyperuniform two-phase media with tunable order
year cv	2018	2018	2018
venue crossref	Phys. Rev. E	Physical review. E	Physical Review E	Physical Review E
kind cv	article	article	other
DOI crossref	10.1103/physreve.97.023311	10.1103/physreve.97.023311
first author openalex	DiStasio	DiStasio	DiStasio

Citations

OpenAlex: 22
Scholar: 29
DOI: 10.1103/physreve.97.023311
OpenAlex: W2788868703

Match decisions

doi merged · 1.00 · Run 18

2018 Thermal Expansion in Dispersion-Bound Molecular Crystals Physical Review Materials article journal CV OA GS

CV span

lines 185–186 · CV · published

18547. H.-Y. Ko, R. A. DiStasio Jr., B. Santra, and R. Car, Thermal Expansion in Dispersion-Bound Molecular Crystals.186Phys. Rev. Materials 2, 055603 (2018).

Institution fields

Peer reviewed: yes
First author: Ko
Co-authors: H.-Y. Ko; R. A. DiStasio Jr.; B. Santra; R. Car
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Thermal Expansion in Dispersion-Bound Molecular Crystals	Thermal expansion in dispersion-bound molecular crystals
year cv	2018	2018
venue crossref	Phys. Rev. Materials	Physical Review Materials	Physical Review Materials
kind cv	article	other
DOI crossref	10.1103/physrevmaterials.2.055603
first author cv	Ko	Ko

Citations

OpenAlex: none
Scholar: 31
DOI: 10.1103/physrevmaterials.2.055603

Match decisions

fingerprint merged · 1.00 · Run 18

2018 Unraveling Substituent Eﬀects on the Glass Transition Temperatures of Biorenewable Polyesters Nature Communications article journal CV OA GS

CV span

lines 177–179 · CV · published

17749. X. Yu, J. Jia, S. Xu, M. J. Sanford, R. K. Ramakrishnan, S. I. Nazarenko, T. R. Hoye, G. W. Coates*, and R. A.178DiStasio Jr.*, Unraveling Substituent Eﬀects on the Glass Transition Temperatures of Biorenewable Polyesters. Nat.179Commun. 9, 2880 (2018).

Institution fields

Peer reviewed: yes
First author: Yu
Co-authors: X. Yu; J. Jia; S. Xu; M. J. Sanford; R. K. Ramakrishnan; S. I. Nazarenko; T. R. Hoye; G. W. Coates*; R. A. DiStasio Jr.*
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Unraveling Substituent Eﬀects on the Glass Transition Temperatures of Biorenewable Polyesters	Unraveling substituent effects on the glass transition temperatures of biorenewable polyesters	Unraveling substituent effects on the glass transition temperatures of biorenewable polyesters
year cv	2018	2018	2018
venue crossref	Nat. Commun.	Nature Communications	Nature communications	Nature Communications
kind cv	article	article	other
DOI crossref	10.1038/s41467-018-05269-3	10.1038/s41467-018-05269-3
first author openalex	Yu	Yu	Yu

Citations

OpenAlex: 95
Scholar: 102
DOI: 10.1038/s41467-018-05269-3
OpenAlex: W2884514405

Match decisions

doi merged · 1.00 · Run 18

2017 Advanced Capabilities for Materials Modeling with Quantum ESPRESSO Journal of Physics: Condensed Matter version 2017 Advanced capabilities for materials modelling with Quantum ESPRESSO article journal CV OA GS

CV span

lines 205–211 · CV · published

20541. P. Giannozzi, O. Andreussi, T. Brumme, O. Bunau, M. Buongiorno Nardelli, M. Calandra, R. Car, C. Cavazzoni, D.206Ceresoli, M. Cococcioni, N. Colonna, I. Carnimeo, A. Dal Corso, S. De Gironcoli, P. Delugas, R. A. DiStasio Jr., A.207Ferretti, A. Floris, G. Fratesi, G. Fugallo, R. Gebauer, U. Gerstmann, F. Giustino, T. Gorni, J. Jia, M. Kawamura, H.-Y.208Ko, A. Kokalj, E. Küçükbenli, M. Lazzeri, M. Marsili, N. Marzari, F. Mauri, N. L. Nguyen, H. V. Nguyen, A. Otero-De-209La-Roza, L. Paulatto, S. Poncé, D. Rocca, R. Sabatini, B. Santra, M. Schlipf, A. P. Seitsonen, A. Smogunov, I. Timrov,210T. Thonhauser, P. Umari, N. Vast, X. Wu, and S. Baroni, Advanced Capabilities for Materials Modeling with Quantum211ESPRESSO. J. Phys.: Condens. Matter 29, 465901 (2017).

Institution fields

Peer reviewed: yes
First author: Giannozzi
Co-authors: P. Giannozzi; O. Andreussi; T. Brumme; O. Bunau; M. Buongiorno Nardelli; M. Calandra; R. Car; C. Cavazzoni; D. Ceresoli; M. Cococcioni; N. Colonna; I. Carnimeo; A. Dal Corso; S. De Gironcoli; P. Delugas; R. A. DiStasio Jr.; A. Ferretti; A. Floris; G. Fratesi; G. Fugallo; R. Gebauer; U. Gerstmann; F. Giustino; T. Gorni; J. Jia; M. Kawamura; H.-Y. Ko; A. Kokalj; E. Küçükbenli; M. Lazzeri; M. Marsili; N. Marzari; F. Mauri; N. L. Nguyen; H. V. Nguyen; A. Otero-De-La-Roza; L. Paulatto; S. Poncé; D. Rocca; R. Sabatini; B. Santra; M. Schlipf; A. P. Seitsonen; A. Smogunov; I. Timrov; T. Thonhauser; P. Umari; N. Vast; X. Wu; S. Baroni
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Advanced Capabilities for Materials Modeling with Quantum ESPRESSO	Advanced capabilities for materials modelling with quantum ESPRESSO
year cv	2017	2017
venue crossref	J. Phys.: Condens. Matter	J. Phys.: Condens. Matter	Journal of Physics: Condensed Matter
kind cv	article	other
DOI crossref	10.1088/1361-648x/aa8f79
first author cv	Giannozzi	Car

Citations

OpenAlex: none
Scholar: 1
Scholar with related records: 11866
DOI: 10.1088/1361-648x/aa8f79

Match decisions

fingerprint merged · 1.00 · Run 18

2017 Enabling Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics in Large-Scale Condensed-Phase Systems Bulletin of the American Physical Society version 2017 Enabling hybrid density functional theory based ab initio molecular dynamics for large-sc… article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Enabling Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics in Large-Scale Condensed-Phase Systems	Enabling Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics in Large-Scale Condensed-Phase Systems
year openalex	2017	2017
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	Jia	Jia

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W2618455370

Match decisions

fingerprint merged · 1.00 · Run 18

2017 eQE: An Open-Source Density Functional Embedding Theory Code for the Condensed Phase International Journal of Quantum Chemistry article journal CV OA GS

CV span

lines 213–214 · CV · published

21340. A. Genova, D. Ceresoli, A. Krishtal, O. Andreussi, R. A. DiStasio Jr., and M. Pavanello, eQE: An Open-Source Density214Functional Embedding Theory Code for the Condensed Phase. Int. J. Quantum Chem. 117, e25401 (2017).

Institution fields

Peer reviewed: yes
First author: Genova
Co-authors: A. Genova; D. Ceresoli; A. Krishtal; O. Andreussi; R. A. DiStasio Jr.; M. Pavanello
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	eQE: An Open-Source Density Functional Embedding Theory Code for the Condensed Phase	eQE: An open‐source density functional embedding theory code for the condensed phase	eQE: An open‐source density functional embedding theory code for the condensed phase
year cv	2017	2017	2017
venue crossref	Int. J. Quantum Chem.	International Journal of Quantum Chemistry	International Journal of Quantum Chemistry	International Journal of Quantum Chemistry
kind cv	article	article	other
DOI crossref	10.1002/qua.25401	10.1002/qua.25401
first author openalex	Genova	Genova	Genova

Citations

OpenAlex: 50
Scholar: 48
DOI: 10.1002/qua.25401
OpenAlex: W2619735149

Match decisions

doi merged · 1.00 · Run 18

2017 First-Principles Models for van der Waals Interactions in Molecules: Concepts, Theory, and Applications Chemical Reviews article journal CV OA GS

CV span

lines 216–218 · CV · published

21639. J. Hermann, R. A. DiStasio Jr.*, and A. Tkatchenko*, First-Principles Models for van der Waals Interactions in217Molecules: Concepts, Theory, and Applications. Chem. Rev. (Special Issue on Non-Covalent Interactions) 117, 4714218(2017).

Institution fields

Peer reviewed: yes
First author: Hermann
Co-authors: J. Hermann; R. A. DiStasio Jr.*; A. Tkatchenko*
Subfield: other
Method: review
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	First-Principles Models for van der Waals Interactions in Molecules: Concepts, Theory, and Applications	First-Principles Models for van der Waals Interactions in Molecules and Materials: Concepts, Theory, and Applications	First-principles models for van der Waals interactions in molecules and materials: Concepts, theory, and applications
year cv	2017	2017	2017
venue crossref	Chem. Rev. (Special Issue on Non-Covalent Interactions)	Chemical Reviews	Chemical Reviews	Chemical Reviews
kind cv	article	review	other
DOI crossref	10.1021/acs.chemrev.6b00446	10.1021/acs.chemrev.6b00446
first author openalex	Hermann	Hermann	Hermann

Citations

OpenAlex: 674
Scholar: 796
DOI: 10.1021/acs.chemrev.6b00446
OpenAlex: W2594341860

Match decisions

doi merged · 1.00 · Run 18

2017 First-Principles Molecular Crystal Structure Prediction: The Importance of Collective van der Waals Interactions and Free Energies Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	First-Principles Molecular Crystal Structure Prediction: The Importance of Collective van der Waals Interactions and Free Energies	First-Principles Molecular Crystal Structure Prediction: The Importance of Collective van der Waals Interactions and Free Energies
year openalex	2017	2017
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	Hoja	Hoja

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W2611601156

Match decisions

fingerprint merged · 1.00 · Run 18

2017 Non-Covalent Interactions and Thermal Effects in the Quest for Selective Atomic Layer Deposition APS March Meeting Abstracts 2017, R1 article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Non-Covalent Interactions and Thermal Effects in the Quest for Selective Atomic Layer Deposition
year scholar			2017
venue scholar			APS March Meeting Abstracts
kind scholar			other
first author scholar			Wong

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2017 Role of van der Waals Interactions in Alleviating Epitaxial Strain in WS$_{2}$/WSe$_{2}$ Lateral Heterojunctions Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Role of van der Waals Interactions in Alleviating Epitaxial Strain in WS$_{2}$/WSe$_{2}$ Lateral Heterojunctions	Role of van der Waals Interactions in Alleviating Epitaxial Strain in WS2/WSe2 Lateral Heterojunctions
year openalex	2017	2017
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	Tu	Tu

Citations

OpenAlex: 0
Scholar: 1
OpenAlex: W2612139783

Match decisions

fingerprint merged · 1.00 · Run 18

2017 The Dipole Polarizability of a Condensed-Phase Water Molecule APS article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	The Dipole Polarizability of a Condensed-Phase Water Molecule	The Dipole Polarizability of a Condensed-Phase Water Molecule
year openalex	2017	2017
venue openalex	APS	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	Lao	Lao

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W3006582584

Match decisions

fingerprint merged · 1.00 · Run 18

2016 Analytical Nuclear Gradients for the Range-Separated Many-Body Dispersion Model of Noncovalent Interactions Chemical Science version 2016 Analytical nuclear gradients for the range-separated many-body dispersion model of noncov… article journal CV OA GS

CV span

lines 239–240 · CV · published

23935. M. A. Blood-Forsythe, T. Markovich, R. A. DiStasio Jr., R. Car, and A. Aspuru-Guzik, Analytical Nuclear Gradients240for the Range-Separated Many-Body Dispersion Model of Noncovalent Interactions. Chem. Sci. 7, 1712 (2016).

Institution fields

Peer reviewed: yes
First author: Blood-Forsythe
Co-authors: M. A. Blood-Forsythe; T. Markovich; R. A. DiStasio Jr.; R. Car; A. Aspuru-Guzik
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Analytical Nuclear Gradients for the Range-Separated Many-Body Dispersion Model of Noncovalent Interactions	Analytical nuclear gradients for the range-separated many-body dispersion model of noncovalent interactions	Analytical nuclear gradients for the range-separated many-body dispersion model of noncovalent interactions
year cv	2016	2015	2016
venue crossref	Chem. Sci.	Chemical Science	Royal Society of Chemistry (RSC)	Chemical Science
kind cv	article	article	other
DOI crossref	10.1039/c5sc03234b	10.1039/c5sc03234b
first author openalex	Blood-Forsythe	Blood-Forsythe	Forsythe

Citations

OpenAlex: 43
Scholar: none
Scholar with related records: 57
DOI: 10.1039/c5sc03234b
OpenAlex: W1831756368

Match decisions

doi merged · 1.00 · Run 18

2016 An Open Source Embedding Code for the Condensed Phase Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	An Open Source Embedding Code for the Condensed Phase	An Open Source Embedding Code for the Condensed Phase
year openalex	2016	2016
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	Genova	Genova

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W2344556745

Match decisions

fingerprint merged · 1.00 · Run 18

2016 Dispersion Interactions in High-Density Molecular Crystals Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Dispersion Interactions in High-Density Molecular Crystals	Dispersion Interactions in High-Density Molecular Crystals
year openalex	2016	2016
venue openalex	Bulletin of the American Physical Society	Bulletin of the American Physical Society
kind openalex	article	other
first author openalex	Csernica	Csernica

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W2603932953

Match decisions

fingerprint merged · 1.00 · Run 18

2016 Inverse Design of Disordered Stealthy Hyperuniform Spin Chains Physical Review B article journal CV OA GS

CV span

lines 236–237 · CV · published

23636. E. Chertkov, R. A. DiStasio Jr., G. Zhang, R. Car, and S. Torquato, Inverse Design of Disordered Stealthy Hyperuniform237Spin Chains. Phys. Rev. B (Editors’ Suggestion) 93, 064201 (2016).

Institution fields

Peer reviewed: yes
First author: Chertkov
Co-authors: E. Chertkov; R. A. DiStasio Jr.; G. Zhang; R. Car; S. Torquato
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Inverse Design of Disordered Stealthy Hyperuniform Spin Chains	Inverse design of disordered stealthy hyperuniform spin chains	Inverse design of disordered stealthy hyperuniform spin chains
year cv	2016	2016	2016
venue crossref	Phys. Rev. B (Editors’ Suggestion)	Physical review. B./Physical review. B	Physical Review B	Physical Review B
kind cv	article	article	other
DOI crossref	10.1103/physrevb.93.064201	10.1103/physrevb.93.064201
first author openalex	Chertkov	Chertkov	Chertkov

Citations

OpenAlex: 17
Scholar: 23
DOI: 10.1103/physrevb.93.064201
OpenAlex: W2230186715

Match decisions

doi merged · 1.00 · Run 18

2016 Large-Scale Hybrid Density Functional Theory Calculations in the Condensed-Phase: Ab Initio Molecular Dynamics in the Isobaric-Isothermal Ensemble APS March Meeting Abstracts 2016, T1 version 2016 Large-Scale Hybrid Density Functional Theory Calculations in the Condensed-Phase: \textit… article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Large-Scale Hybrid Density Functional Theory Calculations in the Condensed-Phase: Ab Initio Molecular Dynamics in the Isobaric-Isothermal Ensemble
year scholar			2016
venue scholar			APS March Meeting Abstracts
kind scholar			other
first author scholar			Ko

Citations

OpenAlex: none
Scholar: none
OpenAlex with related records: 2

Match decisions

No decision recorded; a single record.

2016 Local Structure in Ab Initio Liquid Water: Signatures of Amorphous Phases APS March Meeting Abstracts 2016, S31 version 2016 Local Structure in~\textit{Ab Initio} Liquid Water: Signatures of Amorphous Phases article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Local Structure in Ab Initio Liquid Water: Signatures of Amorphous Phases
year scholar			2016
venue scholar			APS March Meeting Abstracts
kind scholar			other
first author scholar			Santra

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2016 Report on the Sixth Blind Test of Organic Crystal Structure Prediction Methods Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials version 2016 Report on the sixth blind test of organic crystal structure prediction methods article journal CV OA GS

CV span

lines 220–231 · CV · published

22038. A. M. Reilly, R. I. Cooper, C. S. Adjiman, S. Bhattacharya, A. D. Boese, J. G. Brandenburg, P. J. Bygrave, R. Bylsma,221J. E. Campbell, R. Car, D. H. Case, R. Chadha, J. C. Cole, K. Cosburn, H. M. Cuppen, F. Curtis, G. M. Day, R.222A. DiStasio Jr., A. Dzyabchenko, B. P. van Eijck, D. M. Elking, J. A. van den Ende, J. C. Facelli, M. B. Ferraro,223L. Fusti-Molnar, C.-A. Gatsiou, T. S. Gee, R. de Gelder, L. M. Ghiringhelli, H. Goto, S. Grimme, R. Guo, D. W. M.224Hofmann, J. Hoja, R. K. Hylton, L. Iuzzolino, W. Jankiewicz, D. T. de Jong, J. Kendrick, N. J. J. de Klerk, H.-Y. Ko, L.225N. Kuleshova, X. Li, S. Lohani, F. J. J. Leusen, A. M. Lund, J. Lv, Y. Ma, N. Marom, A. E. Masunov, P. McCabe, D. P.226McMahon, H. Meekes, M. P. Metz, A. J. Misquitta, S. Mohamed, B. Monserrat, R. J. Needs, M. A. Neumann, J. Nyman,227S. Obata, H. Oberhofer, A. R. Oganov, A. M. Orendt, G. I. Pagola, C. C. Pantelides, C. J. Pickard, R. Podeszwa, L. S.228Price, S. L. Price, A. Pulido, M. G. Read, K. Reuter, E. Schneider, C. Schober, G. P. Shields, P. Singh, I. J. Sugden, K.229Szalewicz, C. R. Taylor, A. Tkatchenko, M. E. Tuckerman, F. Vacarro, M. Vasileiadis, A. Vazquez-Mayagoitia, L. Vogt,230Y. Wang, R. E. Watson, G. A. de Wijs, J. Yang, Q. Zhu, and C. R. Groom, Report on the Sixth Blind Test of Organic231Crystal Structure Prediction Methods. Acta Cryst. B72, 439 (2016).

Institution fields

Peer reviewed: yes
First author: Reilly
Co-authors: A. M. Reilly; R. I. Cooper; C. S. Adjiman; S. Bhattacharya; A. D. Boese; J. G. Brandenburg; P. J. Bygrave; R. Bylsma; J. E. Campbell; R. Car; D. H. Case; R. Chadha; J. C. Cole; K. Cosburn; H. M. Cuppen; F. Curtis; G. M. Day; R. A. DiStasio Jr.; A. Dzyabchenko; B. P. van Eijck; D. M. Elking; J. A. van den Ende; J. C. Facelli; M. B. Ferraro; L. Fusti-Molnar; C.-A. Gatsiou; T. S. Gee; R. de Gelder; L. M. Ghiringhelli; H. Goto; S. Grimme; R. Guo; D. W. M. Hofmann; J. Hoja; R. K. Hylton; L. Iuzzolino; W. Jankiewicz; D. T. de Jong; J. Kendrick; N. J. J. de Klerk; H.-Y. Ko; L. N. Kuleshova; X. Li; S. Lohani; F. J. J. Leusen; A. M. Lund; J. Lv; Y. Ma; N. Marom; A. E. Masunov; P. McCabe; D. P. McMahon; H. Meekes; M. P. Metz; A. J. Misquitta; S. Mohamed; B. Monserrat; R. J. Needs; M. A. Neumann; J. Nyman; S. Obata; H. Oberhofer; A. R. Oganov; A. M. Orendt; G. I. Pagola; C. C. Pantelides; C. J. Pickard; R. Podeszwa; L. S. Price; S. L. Price; A. Pulido; M. G. Read; K. Reuter; E. Schneider; C. Schober; G. P. Shields; P. Singh; I. J. Sugden; K. Szalewicz; C. R. Taylor; A. Tkatchenko; M. E. Tuckerman; F. Vacarro; M. Vasileiadis; A. Vazquez-Mayagoitia; L. Vogt; Y. Wang; R. E. Watson; G. A. de Wijs; J. Yang; Q. Zhu; C. R. Groom
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Report on the Sixth Blind Test of Organic Crystal Structure Prediction Methods	Report on the sixth blind test of organic crystal structure prediction methods	Report on the sixth blind test of organic crystal structure prediction methods
year cv	2016	2016	2016
venue crossref	Acta Cryst. B72	Acta Crystallographica Section B Structural Science Crystal Engineering and Materials	Acta Crystallographica Section B-Structural Science Crystal Engineering and …	Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
kind cv	article	article	other
DOI crossref	10.1107/s2052520616007447	10.1107/s2052520616007447
first author openalex	Reilly	Reilly	Podeszwa

Citations

OpenAlex: 606
Scholar: 753
DOI: 10.1107/s2052520616007447
OpenAlex: W2482115826

Match decisions

doi merged · 1.00 · Run 18

2016 The Connection between Diagrams and Electrodynamics in the Long-Range Dispersion Energy Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	The Connection between Diagrams and Electrodynamics in the Long-Range Dispersion Energy	The Connection between Diagrams and Electrodynamics in the Long-Range Dispersion Energy
year openalex	2016	2016
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	Maitra	Maitra

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W2600737446

Match decisions

fingerprint merged · 1.00 · Run 18

2016 The Dipole Polarizability of a Water Molecule in Liquid Water APS March Meeting Abstracts 2016, Y22 article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			The Dipole Polarizability of a Water Molecule in Liquid Water
year scholar			2016
venue scholar			APS March Meeting Abstracts
kind scholar			other
first author scholar			Distasio

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2016 The Dipole Polarizability of a Water Molecule \textit{in} Liquid Water Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	The Dipole Polarizability of a Water Molecule \textit{in} Liquid Water	The Dipole Polarizability of a Water Molecule\textit {in} Liquid Water
year openalex	2016	2016
venue openalex	Bulletin of the American Physical Society	Bulletin of the American Physical Society
kind openalex	article	other
first author openalex	DiStasio	Distasio

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W2625213037

Match decisions

fingerprint merged · 1.00 · Run 18

2016 The Role of Anharmonicity and Nuclear Quantum Effects in the Pyridine Molecular Crystal: An ab initio Molecular Dynamics Study APS March Meeting Abstracts 2016, Y22 version 2016 The Role of Anharmonicity and Nuclear Quantum Effects in the Pyridine Molecular Crystal: … 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 Anharmonicity and Nuclear Quantum Effects in the Pyridine Molecular Crystal: An ab initio Molecular Dynamics Study
year scholar			2016
venue scholar			APS March Meeting Abstracts
kind scholar			other
first author scholar			Ko

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2016 Wavelike Charge Density Fluctuations and van der Waals Interactions at the Nanoscale Science article journal CV OA GS

CV span

lines 233–234 · CV · published

23337. A. Ambrosetti, N. Ferri, R. A. DiStasio Jr.*, and A. Tkatchenko*, Wavelike Charge Density Fluctuations and van der234Waals Interactions at the Nanoscale. Science 351, 1171 (2016).

Institution fields

Peer reviewed: yes
First author: Ambrosetti
Co-authors: A. Ambrosetti; N. Ferri; R. A. DiStasio Jr.*; A. Tkatchenko*
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Wavelike Charge Density Fluctuations and van der Waals Interactions at the Nanoscale	Wavelike charge density fluctuations and van der Waals interactions at the nanoscale	Wavelike charge density fluctuations and van der Waals interactions at the nanoscale
year cv	2016	2016	2016
venue crossref	Science	Science	Science
kind cv	article	article	other
DOI crossref	10.1126/science.aae0509	10.1126/science.aae0509
first author openalex	Ambrosetti	Ambrosetti	Ambrosetti

Citations

OpenAlex: 302
Scholar: 346
DOI: 10.1126/science.aae0509
OpenAlex: W2294419283

Match decisions

doi merged · 1.00 · Run 18

2016 Why does hydronium diffuse faster than hydroxide in liquid water Bulletin of the American Physical Society version 2017 Why does hydronium diffuse much faster than hydroxide in liquid water? article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Why does hydronium diffuse faster than hydroxide in liquid water?Why does hydronium diffuse faster than hydroxide in liquid water	Why does hydronium diffuse faster than hydroxide in liquid water?
year openalex	20182016	2018
venue openalex	arXiv (Cornell University)Bulletin of the American Physical Society	arXiv preprint arXiv:1801.07841
kind openalex	working_paperarticle	other
DOI openalex	10.48550/arxiv.1801.07841
preprint DOI	10.48550/arxiv.1801.07841
first author openalex	ChenZheng	Chen

Citations

OpenAlex: 0
Scholar: none
OpenAlex with related records: 87
DOI: 10.48550/arxiv.1801.07841
OpenAlex: W2963115795

Match decisions

preprint 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 needs review

CV span

lines 261–279 · CV · unverified · published

26129. Y. Shao, Z. Gan, E. Epifanovsky, A. T. Gilbert, M. Wormit, J. Kussmann, A. W. Lange, A. Behn, J. Deng, X. Feng, D.262Ghosh, M. Goldey, P. R. Horn, L. D. Jacobson, I. Kaliman, R. Z. Khaliullin, T. Ku, A. Landau, J. Liu, E. I. Proynov, Y.263M. Rhee, R. M. Richard, M. A. Rohrdanz, R. P. Steele, E. J. Sundstrom, H. L. Woodcock, P. M. Zimmerman, D. Zuev, B.264Albrecht, E. Alguire, B. Austin, G. J. O. Beran, Y. A. Bernard, E. Berquist, K. Brandhorst, K. B. Bravaya, S. T. Brown,265D. Casanova, C.-M. Chang, Y. Chen, S. H. Chien, K. D. Closser, D. L. Crittenden, M. Diedenhofen, R. A. DiStasio266Jr., H. Do, A. D. Dutoi, R. G. Edgar, S. Fatehi, L. Fusti-Molnar, A. Ghysels, A. Golubeva-Zadorozhnaya, J. Gomes,267M. W. Hanson-Heine, P. H. Harbach, A. W. Hauser, E. G. Hohenstein, Z. C. Holden, T.-C. Jagau, H. Ji, B. Kaduk, K.268Khistyaev, J. Kim, J. Kim, R. A. King, P. Klunzinger, D. Kosenkov, T. Kowalczyk, C. M. Krauter, K. U. Lao, A. Laurent,269K. V. Lawler, S. V. Levchenko, C. Y. Lin, F. Liu, E. Livshits, R. C. Lochan, A. Luenser, P. Manohar, S. F. Manzer, S.-P.270Mao, N. Mardirossian, A. V. Marenich, S. A. Maurer, N. J. Mayhall, E. Neuscamman, C. M. Oana, R. Olivares-Amaya,271D. P. O’Neill, J. A. Parkhill, T. M. Perrine, R. Peverati, A. Prociuk, D. R. Rehn, E. Rosta, N. J. Russ, S. M. Sharada,272S. Sharma, D. W. Small, A. Sodt, T. Stein, D. Stck, Y.-C. Su, A. J. W. Thom, T. Tsuchimochi, V. Vanovschi, L. Vogt,273O. Vydrov, T. Wang, M. A. Watson, J. Wenzel, A. White, C. F. Williams, J. Yang, S. Yeganeh, S. R. Yost, Z.-Q. You, I.274Y. Zhang, X. Zhang, Y. Zhao, B. R. Brooks, G. K. L. Chan, D. M. Chipman, C. J. Cramer, W. A. Goddard III, M. S.275Gordon, W. J. Hehre, A. Klamt, H. F. Schaefer III, M. W. Schmidt, C. D. Sherrill, D. G. Truhlar, A. Warshel, X. Xu,276A. Aspuru-Guzik, R. Baer, A. T. Bell, N. A. Besley, J.-D. Chai, A. Dreuw, B. D. Dunietz, T. R. Furlani, S. R. Gwaltney,277C.-P. Hsu, Y. Jung, J. Kong, D. S. Lambrecht, W. Liang, C. Ochsenfeld, V. A. Rassolov, L. V. Slipchenko, J. E. Subotnik,278T. Van Voorhis, J. M. Herbert, A. I. Krylov, P. M. Gill, and M. Head-Gordon, Advances in Molecular Quantum Chemistry279Contained in the Q-Chem 4 Program Package. Mol. Phys. 113, 184 (2014).

Institution fields

Peer reviewed: yes
First author: Shao
Co-authors: Y. Shao; Z. Gan; E. Epifanovsky; A. T. Gilbert; M. Wormit; J. Kussmann; A. W. Lange; A. Behn; J. Deng; X. Feng; D. Ghosh; M. Goldey; P. R. Horn; L. D. Jacobson; I. Kaliman; R. Z. Khaliullin; T. Ku; A. Landau; J. Liu; E. I. Proynov; Y. M. Rhee; R. M. Richard; M. A. Rohrdanz; R. P. Steele; E. J. Sundstrom; H. L. Woodcock; P. M. Zimmerman; D. Zuev; B. Albrecht; E. Alguire; B. Austin; G. J. O. Beran; Y. A. Bernard; E. Berquist; K. Brandhorst; K. B. Bravaya; S. T. Brown; D. Casanova; C.-M. Chang; Y. Chen; S. H. Chien; K. D. Closser; D. L. Crittenden; M. Diedenhofen; R. A. DiStasio Jr.; H. Do; A. D. Dutoi; R. G. Edgar; S. Fatehi; L. Fusti-Molnar; A. Ghysels; A. Golubeva-Zadorozhnaya; J. Gomes; M. W. Hanson-Heine; P. H. Harbach; A. W. Hauser; E. G. Hohenstein; Z. C. Holden; T.-C. Jagau; H. Ji; B. Kaduk; K. Khistyaev; J. Kim; J. Kim; R. A. King; P. Klunzinger; D. Kosenkov; T. Kowalczyk; C. M. Krauter; K. U. Lao; A. Laurent; K. V. Lawler; S. V. Levchenko; C. Y. Lin; F. Liu; E. Livshits; R. C. Lochan; A. Luenser; P. Manohar; S. F. Manzer; S.-P. Mao; N. Mardirossian; A. V. Marenich; S. A. Maurer; N. J. Mayhall; E. Neuscamman; C. M. Oana; R. Olivares-Amaya; D. P. O’Neill; J. A. Parkhill; T. M. Perrine; R. Peverati; A. Prociuk; D. R. Rehn; E. Rosta; N. J. Russ; S. M. Sharada; S. Sharma; D. W. Small; A. Sodt; T. Stein; D. Stck; Y.-C. Su; A. J. W. Thom; T. Tsuchimochi; V. Vanovschi; L. Vogt; O. Vydrov; T. Wang; M. A. Watson; J. Wenzel; A. White; C. F. Williams; J. Yang; S. Yeganeh; S. R. Yost; Z.-Q. You; I. Y. Zhang; X. Zhang; Y. Zhao; B. R. Brooks; G. K. L. Chan; D. M. Chipman; C. J. Cramer; W. A. Goddard III; M. S. Gordon; W. J. Hehre; A. Klamt; H. F. Schaefer III; M. W. Schmidt; C. D. Sherrill; D. G. Truhlar; A. Warshel; X. Xu; A. Aspuru-Guzik; R. Baer; A. T. Bell; N. A. Besley; J.-D. Chai; A. Dreuw; B. D. Dunietz; T. R. Furlani; S. R. Gwaltney; C.-P. Hsu; Y. Jung; J. Kong; D. S. Lambrecht; W. Liang; C. Ochsenfeld; V. A. Rassolov; L. V. Slipchenko; J. E. Subotnik; T. Van Voorhis; J. M. Herbert; A. I. Krylov; P. M. Gill; M. Head-Gordon
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 PackageAdvances 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	20142015	2014	2015
venue crossref	Mol. Phys.	Molecular Physics	Molecular Physics	Molecular Physics
kind cv	articlearticle	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 Analytic energy gradients for range-separated many-body dispersion 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			Analytic energy gradients for range-separated many-body dispersion
year scholar			2015
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Blood-Forsythe

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2015 Analytic gradients for many body dispersion interactions in condensed phase 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			Analytic gradients for many body dispersion interactions in condensed phase
year scholar			2015
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Markovich

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2015 A Systematic Study of Chloride Ion Solvation in Water Using van der Waals Inclusive Hybrid Density Functional Theory Molecular Physics article journal CV OA GS

CV span

lines 244–246 · CV · published

24434. A. Bankura, B. Santra, R. A. DiStasio Jr., C. W. Swartz, M. L. Klein, and X. Wu, A Systematic Study of Chloride Ion245Solvation in Water Using van der Waals Inclusive Hybrid Density Functional Theory. Mol. Phys. (Jean-Pierre Hansen246Special Issue) 113, 2842 (2015).

Institution fields

Peer reviewed: yes
First author: Bankura
Co-authors: A. Bankura; B. Santra; R. A. DiStasio Jr.; C. W. Swartz; M. L. Klein; X. Wu
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	A Systematic Study of Chloride Ion Solvation in Water Using van der Waals Inclusive Hybrid Density Functional Theory	A systematic study of chloride ion solvation in water using van der Waals inclusive hybrid density functional theory
year cv	2015	2015
venue crossref	Mol. Phys. (Jean-Pierre Hansen Special Issue)	Molecular Physics	Molecular Physics
kind cv	article	other
DOI crossref	10.1080/00268976.2015.1059959
first author cv	Bankura	Bankura

Citations

OpenAlex: none
Scholar: 68
DOI: 10.1080/00268976.2015.1059959

Match decisions

fingerprint merged · 1.00 · Run 18

2015 Electronic Properties of Molecules and Surfaces with a Self-Consistent Interatomic van der Waals Density Functional Physical Review Letters article journal CV OA GS

CV span

lines 255–256 · CV · published

25531. N. Ferri, R. A. DiStasio Jr., A. Ambrosetti, R. Car, and A. Tkatchenko, Electronic Properties of Molecules and Surfaces256with a Self-Consistent Interatomic van der Waals Density Functional. Phys. Rev. Lett. 114, 176802 (2015).

Institution fields

Peer reviewed: yes
First author: Ferri
Co-authors: N. Ferri; R. A. DiStasio Jr.; A. Ambrosetti; R. Car; A. Tkatchenko
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Electronic Properties of Molecules and Surfaces with a Self-Consistent Interatomic van der Waals Density Functional	Electronic Properties of Molecules and Surfaces with a Self-Consistent Interatomic van der Waals Density Functional	Electronic properties of molecules and surfaces with a self-consistent interatomic van der Waals density functional
year cv	2015	2015	2015
venue crossref	Phys. Rev. Lett.	Physical Review Letters	Physical review letters	Physical Review Letters
kind cv	article	article	other
DOI crossref	10.1103/physrevlett.114.176802	10.1103/physrevlett.114.176802
first author openalex	Ferri	Ferri	Ferri

Citations

OpenAlex: 106
Scholar: 132
DOI: 10.1103/physrevlett.114.176802
OpenAlex: W1973746288

Match decisions

doi merged · 1.00 · Run 18

2015 Electronic Properties of Polarizable Systems with Self-Consistent Interatomic van der Waals Density Functional Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Electronic Properties of Polarizable Systems with Self-Consistent Interatomic van der Waals Density Functional	Electronic Properties of Polarizable Systems with Self-Consistent Interatomic van der Waals Density Functional
year openalex	2015	2015
venue openalex	Bulletin of the American Physical Society	Bulletin of the American Physical Society
kind openalex	article	other
first author openalex	Ferri	Ferri

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W2246991099

Match decisions

fingerprint merged · 1.00 · Run 18

2015 Enabling large-scale hybrid density functional theory calculations in condensed-phase systems 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			Enabling large-scale hybrid density functional theory calculations in condensed-phase systems
year scholar			2015
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			DiStasio

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2015 Farsightedness of the Correlation Energy in Polarizable Non-Metallic Nanostructures Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Farsightedness of the Correlation Energy in Polarizable Non-Metallic Nanostructures	Farsightedness of the Correlation Energy in Polarizable Non-Metallic Nanostructures
year openalex	2015	2015
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	Ambrosetti	Ambrosetti

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W2249145258

Match decisions

fingerprint merged · 1.00 · Run 18

2015 Local Structure Analysis in Ab Initio Liquid Water Molecular Physics article journal CV OA GS

CV span

lines 248–249 · CV · published

24833. B. Santra, R. A. DiStasio Jr., F. Martelli, and R. Car, Local Structure Analysis in Ab Initio Liquid Water. Mol. Phys.249(Jean-Pierre Hansen Special Issue) 113, 2829 (2015).

Institution fields

Peer reviewed: yes
First author: Santra
Co-authors: B. Santra; R. A. DiStasio Jr.; F. Martelli; R. Car
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Local Structure Analysis in Ab Initio Liquid Water	Local structure analysis in ab initio liquid water	Local structure analysis in ab initio liquid water
year cv	2015	2015	2015
venue crossref	Mol. Phys. (Jean-Pierre Hansen Special Issue)	Molecular Physics	Molecular Physics	Molecular Physics
kind cv	article	article	other
DOI crossref	10.1080/00268976.2015.1058432	10.1080/00268976.2015.1058432
first author openalex	Santra	Santra	Santra

Citations

OpenAlex: 111
Scholar: 138
DOI: 10.1080/00268976.2015.1058432
OpenAlex: W1958729574

Match decisions

doi merged · 1.00 · Run 18

2015 Many-Body Dispersion Interactions in Molecular Materials APS March Meeting Abstracts 2015, L16 article journal CV OA GS Scholar only needs review

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Many-Body Dispersion Interactions in Molecular Materials
year scholar			2015
venue scholar			APS March Meeting Abstracts
kind scholar			other
first author scholar			DiStasio

Citations

OpenAlex: none
Scholar: none

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 These records share the same title, DOIs, and year for the many-body dispersion interactions in molecular crystal polymorphism paper.

2015 Microscopic structure, equilibrium density, and local environment in liquid water: A highly accurate ab initio path-integral molecular dynamics study 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			Microscopic structure, equilibrium density, and local environment in liquid water: A highly accurate ab initio path-integral molecular dynamics study
year scholar			2015
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Distasio

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2015 Numerical Study on the Partitioning of the Molecular Polarizability into Fluctuating Charge and Induced Atomic Dipole Contributions The Journal of Physical Chemistry A article journal CV OA GS

CV span

lines 251–253 · CV · published

25132. Y. Mei, A. C. Simmonett, F. C. Pickard IV, R. A. DiStasio Jr., B. R. Brooks, and Y. Shao, Numerical Study on the252Partitioning of the Molecular Polarizability into Fluctuating Charge and Induced Atomic Dipole Contributions. J. Phys.253Chem. A 119, 5865 (2015).

Institution fields

Peer reviewed: yes
First author: Mei
Co-authors: Y. Mei; A. C. Simmonett; F. C. Pickard IV; R. A. DiStasio Jr.; B. R. Brooks; Y. Shao
Subfield: other
Method: quantitative
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Numerical Study on the Partitioning of the Molecular Polarizability into Fluctuating Charge and Induced Atomic Dipole Contributions	Numerical Study on the Partitioning of the Molecular Polarizability into Fluctuating Charge and Induced Atomic Dipole Contributions	Numerical study on the partitioning of the molecular polarizability into fluctuating charge and induced atomic dipole contributions
year cv	2015	2015	2015
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The journal of physical chemistry. A	The Journal of Physical Chemistry A
kind cv	article	article	other
DOI crossref	10.1021/acs.jpca.5b03159	10.1021/acs.jpca.5b03159
first author openalex	Mei	Mei	Mei

Citations

OpenAlex: 64
Scholar: 71
DOI: 10.1021/acs.jpca.5b03159
OpenAlex: W2425952286

Match decisions

doi merged · 1.00 · Run 18

2014 Ab initio theory of X-ray emission spectral of liquid water Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Ab initio theory of X-ray emission spectral of liquid water	Ab initio theory of X-ray emission spectral of liquid water
year openalex	2014	2014
venue openalex	Bulletin of the American Physical Society	APS March Meeting
kind openalex	article	other
first author openalex	Swartz	Swartz

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W2241241656

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Accurate and efficient treatment of many-body van der Waals interactions: Theory and applications MPG.PuRe (Max Planck Society) article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Accurate and efficient treatment of many-body van der Waals interactions: Theory and applications	Accurate and efficient treatment of many-body van der Waals interactions: Theory and applications
year openalex	2014	2014
venue openalex	MPG.PuRe (Max Planck Society)	Abstracts of Papers of the American Chemical Society
kind openalex	article	other
first author openalex	DiStasio	DiStasio

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W790046617

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Electronic Properties of Surfaces and Interfaces with Self-Consistent van der Waals Density Functional Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Electronic Properties of Surfaces and Interfaces with Self-Consistent van der Waals Density Functional	Electronic Properties of Surfaces and Interfaces with Self-Consistent van der Waals Density Functional
year openalex	2014	2014
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	Ferri	Ferri

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W2242532617

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Hard Numbers for Large Molecules: Toward Exact Energetics for Supramolecular Systems The Journal of Physical Chemistry Letters article journal CV OA GS

CV span

lines 288–289 · CV · published

28826. A. Ambrosetti, D. Alfé, R. A. DiStasio Jr., and A. Tkatchenko, Hard Numbers for Large Molecules: Toward Exact289Energetics for Supramolecular Systems. J. Phys. Chem. Lett. 5, 849 (2014).

Institution fields

Peer reviewed: yes
First author: Ambrosetti
Co-authors: A. Ambrosetti; D. Alfé; R. A. DiStasio Jr.; A. Tkatchenko
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Hard Numbers for Large Molecules: Toward Exact Energetics for Supramolecular Systems	Hard Numbers for Large Molecules: Toward Exact Energetics for Supramolecular Systems	Hard numbers for large molecules: Toward exact energetics for supramolecular systems
year cv	2014	2014	2014
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 crossref	10.1021/jz402663k	10.1021/jz402663k
first author openalex	Ambrosetti	Ambrosetti	Ambrosetti

Citations

OpenAlex: 195
Scholar: 229
DOI: 10.1021/jz402663k
OpenAlex: W2061311518

Match decisions

doi merged · 1.00 · Run 18

2014 Long-Range Correlation Energy Calculated from Coupled Atomic Response Functions The Journal of Chemical Physics article journal CV OA GS

CV span

lines 291–292 · CV · published

29125. A. Ambrosetti, A. M. Reilly, R. A. DiStasio Jr., and A. Tkatchenko, Long-Range Correlation Energy Calculated from292Coupled Atomic Response Functions. J. Chem. Phys. (Invited Article) 140, 18A508 (2014).

Institution fields

Peer reviewed: yes
First author: Ambrosetti
Co-authors: A. Ambrosetti; A. M. Reilly; R. A. DiStasio Jr.; A. Tkatchenko
Subfield: other
Method: none
Invited: yes
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Long-Range Correlation Energy Calculated from Coupled Atomic Response Functions	Long-range correlation energy calculated from coupled atomic response functions
year cv	2014	2014
venue crossref	J. Chem. Phys. (Invited Article)	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.4865104
first author cv	Ambrosetti	Ambrosetti

Citations

OpenAlex: none
Scholar: 882
DOI: 10.1063/1.4865104

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Many-Body van der Waals Interactions in Molecules and Condensed Matter Journal of Physics: Condensed Matter article journal CV OA GS

CV span

lines 281–282 · CV · published

28128. R. A. DiStasio Jr., V. V. Gobre, and A. Tkatchenko, Many-Body van der Waals Interactions in Molecules and Condensed282Matter. J. Phys.: Condens. Matter 26, 213202 (2014).

Institution fields

Peer reviewed: yes
First author: DiStasio
Co-authors: R. A. DiStasio Jr.; V. V. Gobre; A. Tkatchenko
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Many-Body van der Waals Interactions in Molecules and Condensed Matter	Many-body van der Waals interactions in molecules and condensed matter	Many-body van der Waals interactions in molecules and condensed matter
year cv	2014	2014	2014
venue crossref	J. Phys.: Condens. Matter	Journal of Physics Condensed Matter	Journal of Physics: Condensed Matter	Journal of Physics: Condensed Matter
kind cv	article	article	other
DOI crossref	10.1088/0953-8984/26/21/213202	10.1088/0953-8984/26/21/213202
first author openalex	DiStasio	DiStasio	DiStasio

Citations

OpenAlex: 256
Scholar: 255
DOI: 10.1088/0953-8984/26/21/213202
OpenAlex: W2116124083

Match decisions

doi merged · 1.00 · Run 18

2014 Nuclear quantum effects in liquid water: A highly accurate ab initio path-integral molecular dynamics study APS March Meeting Abstracts 2014, M1 version 2014 Nuclear Quantum Effects in Liquid Water: A Highly Accurate \textit{ab initio} Path-Integr… article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Nuclear quantum effects in liquid water: A highly accurate ab initio path-integral molecular dynamics study
year scholar			2014
venue scholar			APS March Meeting Abstracts
kind scholar			other
first author scholar			Distasio

Citations

OpenAlex: none
Scholar: none
OpenAlex with related records: 1

Match decisions

No decision recorded; a single record.

2014 Predicting the anomalous density ordering between liquid water and ice using ab initio molecular 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			Predicting the anomalous density ordering between liquid water and ice using ab initio molecular dynamics
year scholar			2014
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Santra

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2014 Shared Memory Multiprocessing Implementation of Resolution-of-the-Identity Second-Order Møller-Plesset Perturbation Theory with Attenuated and Unattenuated Results for Intermolecular Interactions between Large Molecules Mol. Phys. (Invited Article) article CV OA GS

CV span

lines 284–286 · CV · published

28427. M. Goldey, R. A. DiStasio Jr., Y. Shao, and M. Head-Gordon, Shared Memory Multiprocessing Implementation of285Resolution-of-the-Identity Second-Order Møller-Plesset Perturbation Theory with Attenuated and Unattenuated Results286for Intermolecular Interactions between Large Molecules. Mol. Phys. (Invited Article) 112, 836 (2014).

Institution fields

Peer reviewed: yes
First author: Goldey
Co-authors: M. Goldey; R. A. DiStasio Jr.; Y. Shao; M. Head-Gordon
Subfield: other
Method: none
Invited: yes
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Shared Memory Multiprocessing Implementation of Resolution-of-the-Identity Second-Order Møller-Plesset Perturbation Theory with Attenuated and Unattenuated Results for Intermolecular Interactions between Large Molecules	Shared memory multiprocessing implementation of resolution-of-the-identity second-order Møller–Plesset perturbation theory with attenuated and unattenuated results for …
year cv	2014	2014
venue cv	Mol. Phys. (Invited Article)	Molecular Physics
kind cv	article	other
first author cv	Goldey	Goldey

Citations

OpenAlex: none
Scholar: 17

Match decisions

fingerprint merged · 1.00 · Run 18

2014 The Individual and Collective Eﬀects of Exact Exchange and Dispersion Interactions on the Ab Initio Structure of Liquid Water The Journal of Chemical Physics article journal CV OA GS

CV span

lines 258–259 · CV · published

25830. R. A. DiStasio Jr., B. Santra, Z. Li, X. Wu, and R. Car, The Individual and Collective Eﬀects of Exact Exchange and259Dispersion Interactions on the Ab Initio Structure of Liquid Water. J. Chem. Phys. 141, 084502 (2014).

Institution fields

Peer reviewed: yes
First author: DiStasio
Co-authors: R. A. DiStasio Jr.; B. Santra; Z. Li; X. Wu; R. Car
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	The Individual and Collective Eﬀects of Exact Exchange and Dispersion Interactions on the Ab Initio Structure of Liquid Water	The individual and collective effects of exact exchange and dispersion interactions on the ab initio structure of liquid water	The Individual and Collective Effects of Exact Exchange and Dispersion Interactions on the Ab Initio Structure of Liquid Water
year cv	2014	2014	2014
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	J. Chem. Phys.	The Journal of Chemical Physics
kind cv	article	article	other
DOI crossref	10.1063/1.4893377	10.1063/1.4893377
first author openalex	DiStasio	DiStasio	DiStasio

Citations

OpenAlex: 328
Scholar: 354
DOI: 10.1063/1.4893377
OpenAlex: W2005069114

Match decisions

doi merged · 1.00 · Run 18

2014 The Structure, Density, and Local Environment Distribution in \emph{Ab Initio} Liquid Water Bulletin of the American Physical Society version 2014 The Structure, Density, and Local Environment Distribution in Ab Initio Liquid Water article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	The Structure, Density, and Local Environment Distribution in \emph{Ab Initio} Liquid Water	The Structure, Density, and Local Environment Distribution in\emph {Ab Initio} Liquid Water
year openalex	2014	2014
venue openalex	Bulletin of the American Physical Society	Bulletin of the American Physical Society
kind openalex	article	other
first author openalex	Santra	Santra

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W2279483966

Match decisions

fingerprint merged · 1.00 · Run 18

2014 Van der Waals Interactions in Pyridine and Pyridine-like Molecular Crystals: An \textit{ab initio} Molecular Dynamics Study Bulletin of the American Physical Society version 2014 Van der Waals Interactions in Pyridine and Pyridine-like Molecular Crystals: An ab initio… article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Van der Waals Interactions in Pyridine and Pyridine-like Molecular Crystals: An \textit{ab initio} Molecular Dynamics Study	Van der Waals Interactions in Pyridine and Pyridine-like Molecular Crystals: An\textit {ab initio} Molecular Dynamics Study
year openalex	2014	2014
venue openalex	Bulletin of the American Physical Society	APS March Meeting
kind openalex	article	other
first author openalex	Ko	Ko

Citations

OpenAlex: 1
Scholar: none
OpenAlex: W2254191522

Match decisions

fingerprint merged · 1.00 · Run 18

2013 Designer Spin Systems via Inverse Statistical Mechanics Physical Review B article journal CV OA GS

CV span

lines 294–295 · CV · published

29424. R. A. DiStasio Jr., É. Marcotte, R. Car, F. Stillinger, and S. Torquato, Designer Spin Systems via Inverse Statistical295Mechanics. Phys. Rev. B (Editors’ Suggestion) 88, 134104 (2013).

Institution fields

Peer reviewed: yes
First author: DiStasio
Co-authors: R. A. DiStasio Jr.; É. Marcotte; R. Car; F. Stillinger; S. Torquato
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Designer Spin Systems via Inverse Statistical MechanicsDesigner Spin Systems via Inverse Statistical Mechanics	Designer spin systems via inverse statistical mechanics	Designer spin systems via inverse statistical mechanics
year cv	20132013	2013	2013
venue crossref	Phys. Rev. B (Editors’ Suggestion)	Physical Review B	Physical Review B—Condensed Matter and Materials Physics	Physical Review B
kind cv	articlearticle	article	other
DOI crossref	10.1103/physrevb.88.134104	10.1103/physrevb.88.134104		10.1103/physrevb.88.134104
first author openalex	DiStasio	DiStasio	DiStasio

Citations

OpenAlex: 17
Scholar: 20
DOI: 10.1103/physrevb.88.134104
OpenAlex: W2335322281

Match decisions

gemini merged · 1.00 · Run 18 These records share the same title, DOI, and year for part I of the designer spin systems paper.

2013 Designer Spin Systems via Inverse Statistical Mechanics. II. Ground-State Enumeration and Classiﬁcation Physical Review B article journal CV OA GS

CV span

lines 297–298 · CV · published

29723. É. Marcotte, R. A. DiStasio Jr., F. Stillinger, and S. Torquato, Designer Spin Systems via Inverse Statistical Mechanics.298II. Ground-State Enumeration and Classiﬁcation. Phys. Rev. B 88, 184432 (2013).

Institution fields

Peer reviewed: yes
First author: Marcotte
Co-authors: É. Marcotte; R. A. DiStasio Jr.; F. Stillinger; S. Torquato
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Designer Spin Systems via Inverse Statistical Mechanics. II. Ground-State Enumeration and Classiﬁcation	Designer spin systems via inverse statistical mechanics. II. Ground-state enumeration and classification	Designer spin systems via inverse statistical mechanics. II. Ground-state enumeration and classification
year cv	2013	2013	2013
venue crossref	Phys. Rev. B	Physical Review B	Physical Review B—Condensed Matter and Materials Physics	Physical Review B
kind cv	article	article	other
DOI crossref	10.1103/physrevb.88.184432	10.1103/physrevb.88.184432
first author openalex	Marcotte	Marcotte	Marcotte

Citations

OpenAlex: 7
Scholar: 9
DOI: 10.1103/physrevb.88.184432
OpenAlex: W2074288745

Match decisions

gemini merged · 1.00 · Run 18 These records share the same title, DOI, and year for part I of the designer spin systems paper.

2013 Efficient Oscillator-Based Approach for Polarizability and van der Waals Interactions Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Efficient Oscillator-Based Approach for Polarizability and van der Waals Interactions	Efficient Oscillator-Based Approach for Polarizability and van der Waals Interactions
year openalex	2013	2013
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	Gobre	Gobre

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W2566994293

Match decisions

fingerprint merged · 1.00 · Run 18

2013 Interatomic Methods for the Dispersion Energy Derived from the Adiabatic Connection Fluctuation-Dissipation Theorem The Journal of Chemical Physics article journal CV OA GS

CV span

lines 304–305 · CV · published

30421. A. Tkatchenko, A. Ambrosetti, and R. A. DiStasio Jr., Interatomic Methods for the Dispersion Energy Derived from305the Adiabatic Connection Fluctuation-Dissipation Theorem. J. Chem. Phys. 138, 074106 (2013).

Institution fields

Peer reviewed: yes
First author: Tkatchenko
Co-authors: A. Tkatchenko; A. Ambrosetti; R. A. DiStasio Jr.
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar	CrossRef
title cv	Interatomic Methods for the Dispersion Energy Derived from the Adiabatic Connection Fluctuation-Dissipation Theorem	Interatomic methods for the dispersion energy derived from the adiabatic connection fluctuation-dissipation theorem
year cv	2013	2013
venue crossref	J. Chem. Phys.	The Journal of Chemical Physics	The Journal of Chemical Physics
kind cv	article	other
DOI crossref	10.1063/1.4789814
first author cv	Tkatchenko	Tkatchenko

Citations

OpenAlex: none
Scholar: 245
DOI: 10.1063/1.4789814

Match decisions

fingerprint merged · 1.00 · Run 18

2013 Liquid water from first principles: The importance of exact exchange, dispersion interactions, and nuclear quantum effects Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Liquid water from first principles: The importance of exact exchange, dispersion interactions, and nuclear quantum effects	Liquid water from first principles: The importance of exact exchange, dispersion interactions, and nuclear quantum effects
year openalex	2013	2013
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	DiStasio	DiStasio

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W2730800958

Match decisions

fingerprint merged · 1.00 · Run 18

2013 Local Environment Distribution in Ab Initio Liquid Water Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Local Environment Distribution in Ab Initio Liquid Water	Local Environment Distribution in Ab Initio Liquid Water
year openalex	2013	2013
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	Santra	Santra

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W2248266352

Match decisions

fingerprint merged · 1.00 · Run 18

2013 Many-Body Dispersion Interactions in Molecular Crystal Polymorphism Angewandte Chemie International Edition article journal CV OA GS needs review

CV span

lines 300–302 · CV · published

30022. N. Marom, R. A. DiStasio Jr., V. Attala, S. Levchenko, A. M. Reilly, J. R. Chelikowsky, L. Leiserowitz, and A.301Tkatchenko, Many-Body Dispersion Interactions in Molecular Crystal Polymorphism. Angew. Chem. Int. Ed. 52, 6629302(2013).

Institution fields

Peer reviewed: yes
First author: Marom
Co-authors: N. Marom; R. A. DiStasio Jr.; V. Attala; S. Levchenko; A. M. Reilly; J. R. Chelikowsky; L. Leiserowitz; A. Tkatchenko
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Many-Body Dispersion Interactions in Molecular Crystal Polymorphism	Many‐Body Dispersion Interactions in Molecular Crystal PolymorphismMany‐Body Dispersion Interactions in Molecular Crystal PolymorphismMany-Body Dispersion Interactions in Molecular Crystal Polymorphism	Many‐body dispersion interactions in molecular crystal polymorphism
year cv	2013	201320132012	2013
venue crossref	Angew. Chem. Int. Ed.	Angewandte Chemie International EditionAngewandte ChemiearXiv (Cornell University)	Angewandte Chemie	Angewandte Chemie International Edition
kind cv	article	articlearticleworking_paper	other
DOI crossref	10.1002/anie.201301938	10.1002/anie.20130193810.1002/ange.20130193810.48550/arxiv.1210.5636
preprint DOI openalex		10.48550/arxiv.1210.5636
first author openalex	Marom	MaromMaromMarom	Marom

Also recorded as

W2950830432 (DOI 10.1002/ange.201301938) · same title · 2013 Many‐Body Dispersion Interactions in Molecular Crystal Polymorphism

Citations

OpenAlex: 182
Scholar: 232
DOI: 10.1002/anie.201301938
OpenAlex: W2141068582

Match decisions

passthrough_guard not merged · 1.00 · doi_conflict · Run 18 These records share the same title, DOIs, and year for the many-body dispersion interactions in molecular crystal polymorphism paper.
doi merged · 1.00 · Run 18

2013 Many-Body van der Waals Effects in Advanced Materials Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Many-Body van der Waals Effects in Advanced Materials	Many-Body van der Waals Effects in Advanced Materials
year openalex	2013	2013
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	Tkatchenko	Tkatchenko

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W2626383667

Match decisions

fingerprint merged · 1.00 · Run 18

2013 Many-body van der Waals interactions: Theory and 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			Many-body van der Waals interactions: Theory and applications
year scholar			2013
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			DiStasio

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2013 Self-Consistent Density Functional Including Long-Range van der Waals Interactions Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Self-Consistent Density Functional Including Long-Range van der Waals Interactions	Self-Consistent Density Functional Including Long-Range van der Waals Interactions
year openalex	2013	2013
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	Ferri	Ferri

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W2265663903

Match decisions

fingerprint merged · 1.00 · Run 18

2012 Accurate and Eﬃcient Method for Many-Body van der Waals Interactions Physical Review Letters article journal CV OA GS

CV span

lines 313–314 · CV · published

31318. A. Tkatchenko, R. A. DiStasio Jr., R. Car, and M. Scheﬄer, Accurate and Eﬃcient Method for Many-Body van der314Waals Interactions. Phys. Rev. Lett. 108, 236402 (2012).

Institution fields

Peer reviewed: yes
First author: Tkatchenko
Co-authors: A. Tkatchenko; R. A. DiStasio Jr.; R. Car; M. Scheﬄer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Accurate and Eﬃcient Method for Many-Body van der Waals Interactions	Accurate and Efficient Method for Many-Body van der Waals Interactions	Accurate and efficient method for many-body van der Waals interactions
year cv	2012	2012	2012
venue crossref	Phys. Rev. Lett.	Physical Review Letters	Physical review letters	Physical Review Letters
kind cv	article	article	other
DOI crossref	10.1103/physrevlett.108.236402	10.1103/physrevlett.108.236402
first author openalex	Tkatchenko	Tkatchenko	Tkatchenko

Citations

OpenAlex: 1553
Scholar: 1931
DOI: 10.1103/physrevlett.108.236402
OpenAlex: W2020072134

Match decisions

doi merged · 1.00 · Run 18

2012 Collective Many-Body van der Waals Interactions in Molecular Systems Proceedings of the National Academy of Sciences article journal CV OA GS

CV span

lines 310–311 · CV · published

31019. R. A. DiStasio Jr., O. A. von Lilienfeld, and A. Tkatchenko, Collective Many-Body van der Waals Interactions in311Molecular Systems. Proc. Natl. Acad. Sci. USA 109, 14791 (2012).

Institution fields

Peer reviewed: yes
First author: DiStasio
Co-authors: R. A. DiStasio Jr.; O. A. von Lilienfeld; A. Tkatchenko
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Collective Many-Body van der Waals Interactions in Molecular Systems	Collective many-body van der Waals interactions in molecular systems	Collective many-body van der Waals interactions in molecular systems
year cv	2012	2012	2012
venue crossref	Proc. Natl. Acad. Sci. USA	Proceedings of the National Academy of Sciences	Proceedings of the National Academy of Sciences	Proceedings of the National Academy of Sciences
kind cv	article	article	other
DOI crossref	10.1073/pnas.1208121109	10.1073/pnas.1208121109
first author openalex	DiStasio	DiStasio	DiStasio

Citations

OpenAlex: 218
Scholar: 276
DOI: 10.1073/pnas.1208121109
OpenAlex: W2117448081

Match decisions

doi merged · 1.00 · Run 18

2012 {\it Ab-inito} liquid water with hybrid functionals and dispersion interactions Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	{\it Ab-inito} liquid water with hybrid functionals and dispersion interactions	Ab-inito liquid water with hybrid functionals and dispersion interactions
year openalex	2012	2012
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	Li	Li

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W2600563170

Match decisions

fingerprint merged · 1.00 · Run 18

2012 Many-Body van der Waals Interactions in Biology, Chemistry, and Physics Ψk Newsletter (Scientiﬁc Highlight of the Month) version 2014 Many-body van der Waals interactions in biology, chemistry, and physics article CV OA GS needs review

CV span

lines 307–308 · CV · published

30720. R. A. DiStasio Jr., V. V. Gobre, and A. Tkatchenko, Many-Body van der Waals Interactions in Biology, Chemistry,308and Physics. Ψk Newsletter (Scientiﬁc Highlight of the Month) 114, 47 (2012).

Institution fields

Peer reviewed: none
First author: DiStasio
Co-authors: R. A. DiStasio Jr.; V. V. Gobre; A. Tkatchenko
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Many-Body van der Waals Interactions in Biology, Chemistry, and Physics	Accurate and efficient treatment of many-body van der Waals interactions with applications in biology, chemistry, and physics
year cv	2012	2012
venue cv	Ψk Newsletter (Scientiﬁc Highlight of the Month)	ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind cv	article	other
first author cv	DiStasio	DiStasio

Citations

OpenAlex: none
Scholar: none
Scholar with related records: 5

Match decisions

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

2012 The Effect of van der Waals Interactions on the Structure of Liquid Water. Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	The Effect of van der Waals Interactions on the Structure of Liquid Water.	The Effect of van der Waals Interactions on the Structure of Liquid Water.
year openalex	2012	2012
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	DiStasio	DiStasio

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W2256150035

Match decisions

fingerprint merged · 1.00 · Run 18

2012 The Role of Many-Body Dispersion Interactions in Molecular Crystal Polymorphism Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	The Role of Many-Body Dispersion Interactions in Molecular Crystal Polymorphism	The Role of Many-Body Dispersion Interactions in Molecular Crystal Polymorphism
year openalex	2012	2012
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	Leiserowitz	Leiserowitz

Citations

OpenAlex: 1
Scholar: none
OpenAlex: W2752512183

Match decisions

fingerprint merged · 1.00 · Run 18

2011 An Efficient Real-Space Implementation of the van der Waals Energy and Analytical Forces in Plane-Wave Ab Initio Molecular Dynamics Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	An Efficient Real-Space Implementation of the van der Waals Energy and Analytical Forces in Plane-Wave Ab Initio Molecular Dynamics	An Efficient Real-Space Implementation of the van der Waals Energy and Analytical Forces in Plane-Wave Ab Initio Molecular Dynamics
year openalex	2011	2011
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	DiStasio	DiStasio

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W271637834

Match decisions

fingerprint merged · 1.00 · Run 18

2011 How do hybrid functionals, dispersion interactions and quantum nuclei affect the structure of liquid water? Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	How do hybrid functionals, dispersion interactions and quantum nuclei affect the structure of liquid water?	How do hybrid functionals, dispersion interactions and quantum nuclei affect the structure of liquid water?
year openalex	2011	2011
venue openalex	Bulletin of the American Physical Society	APS March Meeting
kind openalex	article	other
first author openalex	Li	Li

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W264198869

Match decisions

fingerprint merged · 1.00 · Run 18

2011 Van der Waals interactions in complex materials: Beyond the pairwise approximation Bulletin of the American Physical Society article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Van der Waals interactions in complex materials: Beyond the pairwise approximation	Van der Waals interactions in complex materials: Beyond the pairwise approximation
year openalex	2011	2011
venue openalex	Bulletin of the American Physical Society	APS March Meeting Abstracts
kind openalex	article	other
first author openalex	Tkatchenko	Tkatchenko

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W92016864

Match decisions

fingerprint merged · 1.00 · Run 18

2010 Current Status of the AMOEBA Polarizable Force Field The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 316–318 · CV · published

31617. J. W. Ponder, C. Wu, P. Ren, V. S. Pande, J. D. Chodera, M. J. Schnieders, I. Haque, D. L. Mobley, D. S. Lambrecht, R.317A. DiStasio Jr., M. Head-Gordon, G. N. I. Clark, M. E. Johnson, and T. Head-Gordon, Current Status of the AMOEBA318Polarizable Force Field. J. Phys. Chem. B (Feature Article) 114, 2549 (2010).

Institution fields

Peer reviewed: yes
First author: Ponder
Co-authors: J. W. Ponder; C. Wu; P. Ren; V. S. Pande; J. D. Chodera; M. J. Schnieders; I. Haque; D. L. Mobley; D. S. Lambrecht; R. A. DiStasio Jr.; M. Head-Gordon; G. N. I. Clark; M. E. Johnson; T. Head-Gordon
Subfield: other
Method: review
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Current Status of the AMOEBA Polarizable Force Field	Current Status of the AMOEBA Polarizable Force Field	Current status of the AMOEBA polarizable force field
year cv	2010	2010	2010
venue crossref	J. Phys. Chem. B (Feature Article)	The Journal of Physical Chemistry B	The journal of physical chemistry. B	The Journal of Physical Chemistry B
kind cv	article	article	other
DOI crossref	10.1021/jp910674d	10.1021/jp910674d
first author openalex	Ponder	Ponder	Ponder

Citations

OpenAlex: 1496
Scholar: 1758
DOI: 10.1021/jp910674d
OpenAlex: W2075093176

Match decisions

doi merged · 1.00 · Run 18

2010 NI; Johnson, ME; Head-Gordon, T. Current status of the AMOEBA polarizable force field J. Phys. Chem. B article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			NI; Johnson, ME; Head-Gordon, T. Current status of the AMOEBA polarizable force field
year scholar			2010
venue scholar			J. Phys. Chem. B
kind scholar			other
first author scholar			Ponder

Citations

OpenAlex: none
Scholar: 48

Match decisions

No decision recorded; a single record.

2010 The 1,4-phenylenediisocyanide Dimer: Gas-Phase Properties and Insights into Organic Self-Assembled Monolayers Phys. Chem. Chem. Phys. article journal CV OA GS

CV span

lines 320–321 · CV · published

32016. R. P. Steele, R. A. DiStasio Jr., M. Head-Gordon, Y. Li, and G. Galli, The 1,4-phenylenediisocyanide Dimer: Gas-Phase321Properties and Insights into Organic Self-Assembled Monolayers. Phys. Chem. Chem. Phys. 12, 82 (2010).

Institution fields

Peer reviewed: yes
First author: Steele
Co-authors: R. P. Steele; R. A. DiStasio Jr.; M. Head-Gordon; Y. Li; G. Galli
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	The 1,4-phenylenediisocyanide Dimer: Gas-Phase Properties and Insights into Organic Self-Assembled Monolayers	The 1,4-phenylenediisocyanide dimer: gas-phase properties and insights into organic self-assembled monolayers	The 1, 4-phenylenediisocyanide dimer: gas-phase properties and insights into organic self-assembled monolayers
year cv	2010	2009	2009
venue crossref	Phys. Chem. Chem. Phys.	Physical Chemistry Chemical Physics	Physical Chemistry Chemical Physics
kind cv	article	article	other
DOI crossref	10.1039/b902194a	10.1039/b902194a
first author openalex	Steele	Steele	Steele

Citations

OpenAlex: 4
Scholar: 6
DOI: 10.1039/b902194a
OpenAlex: W1988098964

Match decisions

doi merged · 1.00 · Run 18

2010 This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. ME Johnson and T. Head-Gordon J. Phys. Chem. B article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. ME Johnson and T. Head-Gordon
year scholar			2010
venue scholar			J. Phys. Chem. B
kind scholar			other
first author scholar			Ponder

Citations

OpenAlex: none
Scholar: 16

Match decisions

No decision recorded; a single record.

2009 Dispersion-Corrected Møller-Plesset Second-Order Perturbation Theory The Journal of Chemical Physics article journal CV OA GS

CV span

lines 323–324 · CV · published

32315. A. Tkatchenko, R. A. DiStasio Jr., M. Head-Gordon, and M. Scheﬄer, Dispersion-Corrected Møller-Plesset Second-324Order Perturbation Theory. J. Chem. Phys. 131, 094106 (2009).

Institution fields

Peer reviewed: yes
First author: Tkatchenko
Co-authors: A. Tkatchenko; R. A. DiStasio Jr.; M. Head-Gordon; M. Scheﬄer
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Dispersion-Corrected Møller-Plesset Second-Order Perturbation Theory	Dispersion-corrected Møller–Plesset second-order perturbation theoryPublisher’s Note: “Dispersion-corrected Møller–Plesset second-order perturbation theory” [J. Chem. Phys. 131, 094106 (2009)]	Dispersion-corrected Møller–Plesset second-order perturbation theory
year cv	2009	20092009	2009
venue crossref	J. Chem. Phys.	The Journal of Chemical PhysicsThe Journal of Chemical Physics	The Journal of chemical physics	The Journal of Chemical Physics
kind cv	article	articlearticle	other
DOI crossref	10.1063/1.3240866	10.1063/1.321319410.1063/1.3240866
first author openalex	Tkatchenko	TkatchenkoTkatchenko	Tkatchenko

Also recorded as

W2050021502 (DOI 10.1063/1.3213194) · same title · 2009 Dispersion-corrected Møller–Plesset second-order perturbation theory

Citations

OpenAlex: 5
Scholar: 384
DOI: 10.1063/1.3240866
OpenAlex: W2071591336

Match decisions

gemini merged · 1.00 · Run 18 These records share the same title and authors for the dispersion-corrected MP2 paper.

2009 Head-Gordon M and Scheffler M J. Chem. Phys article journal CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Head-Gordon M and Scheffler M
year scholar			2009
venue scholar			J. Chem. Phys.
kind scholar			other
first author scholar			Tkatchenko

Citations

OpenAlex: none
Scholar: 13

Match decisions

No decision recorded; a single record.

2009 Local and canonical approximations in Moller-Plesset perturbation theory with applications to dispersion interactions PhDT article CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	OpenAlex	Scholar
title openalex	Local and canonical approximations in Moller-Plesset perturbation theory with applications to dispersion interactions	Local and canonical approximations in Møller-Plesset perturbation theory with applications to dispersion interactions
year openalex	2009	2009
venue openalex	PhDT	University of California, Berkeley
kind openalex	article	other
first author openalex	DiStasio	DiStasio

Citations

OpenAlex: 0
Scholar: none
OpenAlex: W2147710965

Match decisions

fingerprint merged · 1.00 · Run 18

2009 Non-Covalent Interactions with Dual-Basis Methods: Pairings for Augmented Basis Sets Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 326–327 · CV · published

32614. R. P. Steele, R. A. DiStasio Jr., and M. Head-Gordon, Non-Covalent Interactions with Dual-Basis Methods: Pairings327for Augmented Basis Sets. J. Chem. Theory Comput. 5, 1560 (2009).

Institution fields

Peer reviewed: yes
First author: Steele
Co-authors: R. P. Steele; R. A. DiStasio Jr.; M. Head-Gordon
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Non-Covalent Interactions with Dual-Basis Methods: Pairings for Augmented Basis Sets	Non-Covalent Interactions with Dual-Basis Methods: Pairings for Augmented Basis Sets	Non-covalent interactions with dual-basis methods: Pairings for augmented basis sets
year cv	2009	2009	2009
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	article	other
DOI crossref	10.1021/ct900058p	10.1021/ct900058p
first author openalex	Steele	Steele	Steele

Citations

OpenAlex: 52
Scholar: 63
DOI: 10.1021/ct900058p
OpenAlex: W2037332360

Match decisions

doi merged · 1.00 · Run 18

2008 COMP 346-Efficient resolution-of-the-identity implementation of local scaled opposite spin second-order Moller-Plesset perturbation theory: A correlated look at mutual … 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			COMP 346-Efficient resolution-of-the-identity implementation of local scaled opposite spin second-order Moller-Plesset perturbation theory: A correlated look at mutual …
year scholar			2008
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			DiStasio

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2008 COMP 63-Dual-basis methods: Energies and derivatives with application to noncovalent interactions 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			COMP 63-Dual-basis methods: Energies and derivatives with application to noncovalent interactions
year scholar			2008
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Steele

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2008 PHYS 537-Dual-basis methods: Cation-Pi effects in fullerene systems 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 537-Dual-basis methods: Cation-Pi effects in fullerene systems
year scholar			2008
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Steele

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2008 Semiempirical Double-Hybrid Density Functional with Improved Description of Long-Range Correlation The Journal of Physical Chemistry A supplement Supplementary material to: Semiempirical double-hybrid density functional with improved d… article journal CV OA GS

CV span

lines 329–330 · CV · published

32913. T. Benighaus, R. A. DiStasio Jr., R. C. Lochan, J.-D. Chai, and M. Head-Gordon, Semiempirical Double-Hybrid Density330Functional with Improved Description of Long-Range Correlation. J. Phys. Chem. A 112, 2702 (2008).

Institution fields

Peer reviewed: yes
First author: Benighaus
Co-authors: T. Benighaus; R. A. DiStasio Jr.; R. C. Lochan; J.-D. Chai; M. Head-Gordon
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Semiempirical Double-Hybrid Density Functional with Improved Description of Long-Range Correlation	Semiempirical Double-Hybrid Density Functional with Improved Description of Long-Range Correlation	Semiempirical double-hybrid density functional with improved description of long-range correlation
year cv	2008	2008	2008
venue crossref	J. Phys. Chem. A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A	The Journal of Physical Chemistry A
kind cv	article	article	other
DOI crossref	10.1021/jp710439w	10.1021/jp710439w
first author openalex	Benighaus	Benighaus	Benighaus

Citations

OpenAlex: 141
Scholar: 165
DOI: 10.1021/jp710439w
OpenAlex: W2054061019

Match decisions

doi merged · 1.00 · Run 18

2007 An Improved Algorithm for Analytical Gradient Evaluation in Resolution-of-the-Identity Second-Order Møller-Plesset Perturbation Theory: Application to Alanine Tetrapeptide Conformational Analysis Journal of Computational Chemistry article journal CV OA GS

CV span

lines 348–350 · CV · published

3487. R. A. DiStasio Jr., R. P. Steele, Y. M. Rhee, Y. Shao, and M. Head-Gordon, An Improved Algorithm for Analytical Gra-349dient Evaluation in Resolution-of-the-Identity Second-Order Møller-Plesset Perturbation Theory: Application to Alanine350Tetrapeptide Conformational Analysis. J. Comput. Chem. 28, 839 (2007).

Institution fields

Peer reviewed: yes
First author: DiStasio
Co-authors: R. A. DiStasio Jr.; R. P. Steele; Y. M. Rhee; Y. Shao; M. Head-Gordon
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	An Improved Algorithm for Analytical Gradient Evaluation in Resolution-of-the-Identity Second-Order Møller-Plesset Perturbation Theory: Application to Alanine Tetrapeptide Conformational Analysis	An improved algorithm for analytical gradient evaluation in resolution‐of‐the‐identity second‐order Møller‐Plesset perturbation theory: Application to alanine tetrapeptide conformational analysis	An improved algorithm for analytical gradient evaluation in resolution‐of‐the‐identity second‐order Møller‐Plesset perturbation theory: Application to alanine tetrapeptide …
year cv	2007	2007	2007
venue crossref	J. Comput. Chem.	Journal of Computational Chemistry	Journal of Computational Chemistry	Journal of Computational Chemistry
kind cv	article	article	other
DOI crossref	10.1002/jcc.20604	10.1002/jcc.20604
first author openalex	DiStasio	DiStasio	Distasio

Citations

OpenAlex: 147
Scholar: 179
DOI: 10.1002/jcc.20604
OpenAlex: W2108639678

Match decisions

gemini merged · 1.00 · Run 18 These records share the same title, DOI, and year for the dual-basis MP2 gradient paper.

2007 Methylrhenium Trioxide Revisited: Mechanisms for Nonredox Oxygen Insertion in an M-CH3 Bond Journal of the American Chemical Society article journal CV OA GS

CV span

lines 332–333 · CV · published

33212. J. M. Gonzales, R. A. DiStasio Jr., R. A. Periana, W. A. Goddard III, and J. Oxgaard, Methylrhenium Trioxide333Revisited: Mechanisms for Nonredox Oxygen Insertion in an M-CH3 Bond. J. Amer. Chem. Soc. 129, 15794 (2007).

Institution fields

Peer reviewed: yes
First author: Gonzales
Co-authors: J. M. Gonzales; R. A. DiStasio Jr.; R. A. Periana; W. A. Goddard III; J. Oxgaard
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Methylrhenium Trioxide Revisited: Mechanisms for Nonredox Oxygen Insertion in an M-CH3 Bond	Methylrhenium Trioxide Revisited: Mechanisms for Nonredox Oxygen Insertion in an M−CH3 Bond	Methylrhenium Trioxide Revisited: Mechanisms for Nonredox Oxygen Insertion in an M−CH3 Bond
year cv	2007	2007	2007
venue crossref	J. Amer. Chem. Soc.	Journal of the American Chemical Society	Journal of the American Chemical Society	Journal of the American Chemical Society
kind cv	article	article	other
DOI crossref	10.1021/ja0714742	10.1021/ja0714742
first author openalex	Gonzales	Gonzales	Gonzales

Citations

OpenAlex: 54
Scholar: 60
DOI: 10.1021/ja0714742
OpenAlex: W1998106856

Match decisions

doi merged · 1.00 · Run 18

2007 On the T-Shaped Structures of the Benzene Dimer Chemical Physics Letters article journal CV OA GS

CV span

lines 341–342 · CV · published

3419. R. A. DiStasio Jr., G. von Helden, R. P. Steele, and M. Head-Gordon, On the T-Shaped Structures of the Benzene342Dimer. Chem. Phys. Lett. 437, 277 (2007).

Institution fields

Peer reviewed: yes
First author: DiStasio
Co-authors: R. A. DiStasio Jr.; G. von Helden; R. P. Steele; M. Head-Gordon
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	On the T-Shaped Structures of the Benzene Dimer	On the T-shaped structures of the benzene dimer	On the T-shaped structures of the benzene dimer
year cv	2007	2007	2007
venue crossref	Chem. Phys. Lett.	Chemical Physics Letters	Chemical physics letters	Chemical Physics Letters
kind cv	article	article	other
DOI crossref	10.1016/j.cplett.2007.02.034	10.1016/j.cplett.2007.02.034
first author openalex	DiStasio	DiStasio	DiStasio

Citations

OpenAlex: 132
Scholar: 157
DOI: 10.1016/j.cplett.2007.02.034
OpenAlex: W2156903701

Match decisions

doi merged · 1.00 · Run 18

2007 Optimized Spin-Component Scaled Second-Order Møller-Plesset Perturbation Theory for Intermolecular Interaction Energies Molecular Physics article journal CV OA GS

CV span

lines 338–339 · CV · published

33810. R. A. DiStasio Jr. and M. Head-Gordon, Optimized Spin-Component Scaled Second-Order Møller-Plesset Perturbation339Theory for Intermolecular Interaction Energies. Mol. Phys. 105, 1073 (2007).

Institution fields

Peer reviewed: yes
First author: DiStasio
Co-authors: R. A. DiStasio Jr.; M. Head-Gordon
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Optimized Spin-Component Scaled Second-Order Møller-Plesset Perturbation Theory for Intermolecular Interaction Energies	Optimized spin-component scaled second-order Møller-Plesset perturbation theory for intermolecular interaction energies	Optimized spin-component scaled second-order Møller-Plesset perturbation theory for intermolecular interaction energies
year cv	2007	2007	2007
venue crossref	Mol. Phys.	Molecular Physics	Molecular Physics	Molecular Physics
kind cv	article	article	other
DOI crossref	10.1080/00268970701283781	10.1080/00268970701283781
first author openalex	DiStasio	DiStasio	DiStasio

Citations

OpenAlex: 249
Scholar: 309
DOI: 10.1080/00268970701283781
OpenAlex: W2069092298

Match decisions

doi merged · 1.00 · Run 18

2007 Photoinduced β-Hydrogen Elimination and Radical Formation with CpW(CO)3(CH2CH3): Ultrafast IR and DFT Studies Organometallics article journal CV OA GS

CV span

lines 344–346 · CV · published

3448. E. A. Glascoe, M. F. Kling, J. E. Shanoski, R. A. DiStasio Jr., C. K. Payne, B. V. Mork, T. D. Tilley, and C. B. Harris,345Photoinduced β-Hydrogen Elimination and Radical Formation with CpW(CO)3(CH2CH3): Ultrafast IR and DFT Studies.346Organometallics 26, 1424 (2007).

Institution fields

Peer reviewed: yes
First author: Glascoe
Co-authors: E. A. Glascoe; M. F. Kling; J. E. Shanoski; R. A. DiStasio Jr.; C. K. Payne; B. V. Mork; T. D. Tilley; C. B. Harris
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	Photoinduced β-Hydrogen Elimination and Radical Formation with CpW(CO)3(CH2CH3): Ultrafast IR and DFT Studies	Photoinduced β-Hydrogen Elimination and Radical Formation with CpW(CO)3(CH2CH3): Ultrafast IR and DFT Studies	Photoinduced β-Hydrogen Elimination and Radical Formation with CpW (CO) 3 (CH2CH3): Ultrafast IR and DFT Studies
year cv	2007	2007	2007
venue crossref	Organometallics	Organometallics	Organometallics
kind cv	article	article	other
DOI crossref	10.1021/om060455i	10.1021/om060455i
first author openalex	Glascoe	Glascoe	Glascoe

Citations

OpenAlex: 14
Scholar: 19
DOI: 10.1021/om060455i
OpenAlex: W2071647628

Match decisions

doi merged · 1.00 · Run 18

2007 Q-Chem 3.1; Q-Chem, Inc Pittsburgh, PA other CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Q-Chem 3.1; Q-Chem, Inc
year scholar			2007
venue scholar			Pittsburgh, PA
kind scholar			other
first author scholar			Shao

Citations

OpenAlex: none
Scholar: 6

Match decisions

No decision recorded; a single record.

2007 The Analytical Gradient of Dual-Basis Resolution-of-the-Identity Second-Order Møller-Plesset Perturbation Theory Molecular Physics article journal CV OA GS

CV span

lines 335–337 · CV · published

33511. R. A. DiStasio Jr., R. P. Steele, and M. Head-Gordon, The Analytical Gradient of Dual-Basis Resolution-of-the-Identity336Second-Order Møller-Plesset Perturbation Theory. Mol. Phys. (Peter Pulay Special Issue) 105, 2731 (2007).337

Institution fields

Peer reviewed: yes
First author: DiStasio
Co-authors: R. A. DiStasio Jr.; R. P. Steele; M. Head-Gordon
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	The Analytical Gradient of Dual-Basis Resolution-of-the-Identity Second-Order Møller-Plesset Perturbation Theory	The analytical gradient of dual-basis resolution-of-the-identity second-order Møller–Plesset perturbation theory	The analytical gradient of dual-basis resolution-of-the-identity second-order Møller–Plesset perturbation theory
year cv	2007	2007	2007
venue crossref	Mol. Phys. (Peter Pulay Special Issue)	Molecular Physics	Molecular Physics	Molecular Physics
kind cv	article	article	other
DOI crossref	10.1080/00268970701624687	10.1080/00268970701624687
first author openalex	DiStasio	DiStasio	Distasio

Citations

OpenAlex: 33
Scholar: 44
DOI: 10.1080/00268970701624687
OpenAlex: W2142921129

Match decisions

gemini merged · 1.00 · Run 18 These records share the same title, DOI, and year for the dual-basis MP2 gradient paper.

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 Analytical Gradient of Restricted Second-Order Møller-Plesset Correlation Energy with the Resolution-of-the-Identity Approximation, Applied to the TCNE Dimer Anion Complex Chemical Physics Letters article journal CV OA GS

CV span

lines 369–371 · CV · published

3693. Y. M. Rhee, R. A. DiStasio Jr., R. C. Lochan, and M. Head-Gordon, Analytical Gradient of Restricted Second-Order370Møller-Plesset Correlation Energy with the Resolution-of-the-Identity Approximation, Applied to the TCNE Dimer Anion371Complex. Chem. Phys. Lett. 426, 197 (2006).

Institution fields

Peer reviewed: yes
First author: Rhee
Co-authors: Y. M. Rhee; R. A. DiStasio Jr.; R. C. Lochan; M. Head-Gordon
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Analytical Gradient of Restricted Second-Order Møller-Plesset Correlation Energy with the Resolution-of-the-Identity Approximation, Applied to the TCNE Dimer Anion Complex	Analytical gradient of restricted second-order Møller–Plesset correlation energy with the resolution of the identity approximation, applied to the TCNE dimer anion complex	Analytical gradient of restricted second-order Møller–Plesset correlation energy with the resolution of the identity approximation, applied to the TCNE dimer anion complex
year cv	2006	2006	2006
venue crossref	Chem. Phys. Lett.	Chemical Physics Letters	Chemical physics letters	Chemical Physics Letters
kind cv	article	article	other
DOI crossref	10.1016/j.cplett.2006.05.092	10.1016/j.cplett.2006.05.092
first author openalex	Rhee	Rhee	Rhee

Citations

OpenAlex: 27
Scholar: 35
DOI: 10.1016/j.cplett.2006.05.092
OpenAlex: W2140697745

Match decisions

doi merged · 1.00 · Run 18

2006 Dual-Basis Analytic Gradients. I. Self-Consistent Field Theory J. Phys. Chem. A article journal CV OA GS

CV span

lines 352–353 · CV · published

3526. R. P. Steele, Y. Shao, R. A. DiStasio Jr., and M. Head-Gordon, Dual-Basis Analytic Gradients. I. Self-Consistent Field353Theory. J. Phys. Chem. A 110, 13915 (2006).

Institution fields

Peer reviewed: yes
First author: Steele
Co-authors: R. P. Steele; Y. Shao; R. A. DiStasio Jr.; M. Head-Gordon
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	Scholar
title cv	Dual-Basis Analytic Gradients. I. Self-Consistent Field Theory	Dual-basis analytic gradients. 1. Self-consistent field theory
year cv	2006	2006
venue cv	J. Phys. Chem. A	The Journal of Physical Chemistry A
kind cv	article	other
first author cv	Steele	Steele

Citations

OpenAlex: none
Scholar: 49

Match decisions

fingerprint merged · 1.00 · Run 18

2006 Dual-Basis Second-Order Møller-Plesset Perturbation Theory: A Reduced Cost Reference for Correlation Calculations The Journal of Chemical Physics article journal CV OA GS

CV span

lines 366–367 · CV · published

3664. R. P. Steele, R. A. DiStasio Jr., Y. Shao, J. Kong, and M. Head-Gordon, Dual-Basis Second-Order Møller-Plesset367Perturbation Theory: A Reduced Cost Reference for Correlation Calculations. J. Chem. Phys. 125, 074108 (2006).

Institution fields

Peer reviewed: yes
First author: Steele
Co-authors: R. P. Steele; R. A. DiStasio Jr.; Y. Shao; J. Kong; M. Head-Gordon
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	Dual-Basis Second-Order Møller-Plesset Perturbation Theory: A Reduced Cost Reference for Correlation Calculations	Dual-basis second-order Møller-Plesset perturbation theory: A reduced-cost reference for correlation calculations	Dual-basis second-order Møller-Plesset perturbation theory: A reduced-cost reference for correlation calculations
year cv	2006	2006	2006
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 crossref	10.1063/1.2234371	10.1063/1.2234371
first author openalex	Steele	Steele	Steele

Citations

OpenAlex: 101
Scholar: 121
DOI: 10.1063/1.2234371
OpenAlex: W2076812125

Match decisions

doi merged · 1.00 · Run 18

2006 PHYS 563-Dual-basis methods for electronic structure theory 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 563-Dual-basis methods for electronic structure theory
year scholar			2006
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			Steele

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

2006 PHYS 604-Local and canonical resolution-of-the-identity second-order Moller-Plesset perturbation theory: Application to alanine tetrapeptide conformational energies 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 604-Local and canonical resolution-of-the-identity second-order Moller-Plesset perturbation theory: Application to alanine tetrapeptide conformational energies
year scholar			2006
venue scholar			ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
kind scholar			other
first author scholar			DiStasio

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 355–364 · CV · published

3555. Y. Shao, L. Fusti-Molnar, Y. Jung, J. Kussmann, C. Ochsenfeld, S. T. Brown, A. T. B. Gilbert, L. V. Slipchenko, S. V.356Levchenko, D. P. O’Neill, R. A. DiStasio Jr., R. C. Lochan, T. Wang, G. J. O. Beran, N. A. Besley, J. M. Herbert, C. Y.357Lin, T. Van Voorhis, S. H. Chien, A. Sodt, R. P. Steele, V. A. Rassolov, P. E. Maslen, P. P. Korambath, R. D. Adamson,358B. Austin, J. Baker, E. F. C. Byrd, H. Dachsel, R. J. Doerksen, A. Dreuw, B. D. Dunietz, A. D. Dutoi, T. R. Furlani, S.359R. Gwaltney, A. Heyden, S. Hirata, C. P. Hsu, G. Kedziora, R. Z. Khalliulin, P. Klunzinger, A. M. Lee, M. S. Lee, W.360Liang, I. Lotan, N. Nair, B. Peters, E. I. Proynov, P. A. Pieniazek, Y. M. Rhee, J. Ritchie, E. Rosta, C. D. Sherrill, A. C.361Simmonett, J. E. Subotnik, H. L. Woodcock III, W. Zhang, A. T. Bell, A. K. Chakraborty, D. M. Chipman, F. J. Keil,362A. Warshel, W. J. Hehre, H. F. Schaefer III, J. Kong, A. I. Krylov, P. M. W. Gill, and M. Head-Gordon, Q-Chem 3.0:363Advances in Methods and Algorithms in a Modern Quantum Chemistry Program Package. Phys. Chem. Chem. Phys. 8,3643172 (2006).

Institution fields

Peer reviewed: yes
First author: Shao
Co-authors: Y. Shao; L. Fusti-Molnar; Y. Jung; J. Kussmann; C. Ochsenfeld; S. T. Brown; A. T. B. Gilbert; L. V. Slipchenko; S. V. Levchenko; D. P. O’Neill; R. A. DiStasio Jr.; R. C. Lochan; T. Wang; G. J. O. Beran; N. A. Besley; J. M. Herbert; C. Y. Lin; T. Van Voorhis; S. H. Chien; A. Sodt; R. P. Steele; V. A. Rassolov; P. E. Maslen; P. P. Korambath; R. D. Adamson; B. Austin; J. Baker; E. F. C. Byrd; H. Dachsel; R. J. Doerksen; A. Dreuw; B. D. Dunietz; A. D. Dutoi; T. R. Furlani; S. R. Gwaltney; A. Heyden; S. Hirata; C. P. Hsu; G. Kedziora; R. Z. Khalliulin; P. Klunzinger; A. M. Lee; M. S. Lee; W. Liang; I. Lotan; N. Nair; B. Peters; E. I. Proynov; P. A. Pieniazek; Y. M. Rhee; J. Ritchie; E. Rosta; C. D. Sherrill; A. C. Simmonett; J. E. Subotnik; H. L. Woodcock III; W. Zhang; A. T. Bell; A. K. Chakraborty; D. M. Chipman; F. J. Keil; A. Warshel; W. J. Hehre; H. F. Schaefer III; J. Kong; A. I. Krylov; P. M. W. Gill; M. Head-Gordon
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	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	2006	2006	2006
venue crossref	Phys. Chem. Chem. Phys.	Physical Chemistry Chemical Physics	Physical Chemistry Chemical Physics
kind cv	article	article	other
DOI cv	10.1039/b517914a10.1039/b517914a	10.1039/b517914a
first author openalex	Shao	Shao	Shao

Citations

OpenAlex: 2813
Scholar: 83
Scholar with related records: 3179
DOI: 10.1039/b517914a
OpenAlex: W2120901082

Match decisions

doi merged · 1.00 · Run 18

2005 A Resolution-of-the-Identity Implementation of the Local Triatomics-in-Molecules Model for Second-Order Møller-Plesset Perturbation Theory with Application to Alanine Tetrapeptide Conformational Energies Journal of Chemical Theory and Computation article journal CV OA GS

CV span

lines 373–375 · CV · published

3732. R. A. DiStasio Jr., Y. Jung, and M. Head-Gordon, A Resolution-of-the-Identity Implementation of the Local Triatomics-374in-Molecules Model for Second-Order Møller-Plesset Perturbation Theory with Application to Alanine Tetrapeptide Con-375formational Energies. J. Chem. Theory Comput. 1, 862 (2005).

Institution fields

Peer reviewed: yes
First author: DiStasio
Co-authors: R. A. DiStasio Jr.; Y. Jung; M. Head-Gordon
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar	CrossRef
title cv	A Resolution-of-the-Identity Implementation of the Local Triatomics-in-Molecules Model for Second-Order Møller-Plesset Perturbation Theory with Application to Alanine Tetrapeptide Conformational Energies	A Resolution-Of-The-Identity Implementation of the Local Triatomics-In-Molecules Model for Second-Order Møller−Plesset Perturbation Theory with Application to Alanine Tetrapeptide Conformational Energies	A resolution-of-the-identity implementation of the local triatomics-in-molecules model for second-order Møller− Plesset perturbation theory with application to alanine …
year cv	2005	2005	2005
venue crossref	J. Chem. Theory Comput.	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation
kind cv	article	article	other
DOI crossref	10.1021/ct050126s	10.1021/ct050126s
first author openalex	DiStasio	DiStasio	DiStasio

Citations

OpenAlex: 100
Scholar: 124
DOI: 10.1021/ct050126s
OpenAlex: W2044429791

Match decisions

doi merged · 1.00 · Run 18

2004 SF5-Terminated Fluorinated SchiﬀBase Liquid Crystals The Journal of Physical Chemistry B article journal CV OA GS

CV span

lines 377–378 · CV · published

3771. J. A. Smith, R. A. DiStasio Jr., N. A. Hannah, R. W. Winter, T. J. R. Weakley, G. L. Gard, and S. B. Rananavare,378SF5-Terminated Fluorinated SchiﬀBase Liquid Crystals. J. Phys. Chem. B 108, 19940 (2004).

Institution fields

Peer reviewed: yes
First author: Smith
Co-authors: J. A. Smith; R. A. DiStasio Jr.; N. A. Hannah; R. W. Winter; T. J. R. Weakley; G. L. Gard; S. B. Rananavare
Subfield: other
Method: none
Invited: none
Publisher: none
Reprint or translation: none

Fields by source

Field	CV	OpenAlex	Scholar
title cv	SF5-Terminated Fluorinated SchiﬀBase Liquid Crystals	SF5-Terminated Fluorinated Schiff Base Liquid Crystals	SF5-terminated fluorinated Schiff base liquid crystals
year cv	2004	2004	2004
venue openalex	J. Phys. Chem. B	The Journal of Physical Chemistry B	The Journal of Physical Chemistry B
kind cv	article	article	other
DOI openalex		10.1021/jp047732o
first author openalex	Smith	Smith	Smith

Citations

OpenAlex: 41
Scholar: 46
DOI: 10.1021/jp047732o
OpenAlex: W2130995529

Match decisions

gemini merged · 1.00 · Run 18 These records share the same title, authors, year, and DOI representing the same publication.

Accurate and efficient order-N framework for hybrid DFT based ab initio molecular dynamics simulations of heterogeneous finite-gap condensed-phase systems 2025 Joint Mathematics Meetings (JMM 2025) other CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Accurate and efficient order-N framework for hybrid DFT based ab initio molecular dynamics simulations of heterogeneous finite-gap condensed-phase systems
venue scholar			2025 Joint Mathematics Meetings (JMM
kind scholar			other
first author scholar			Distasio

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

New Concepts, Methods, and Techniques TH 1 Advanced Electronic Structure Approaches in FHI-Aims Fritz-Haber-Institut der Max-Planck-Gesellschaft Berlin other CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			New Concepts, Methods, and Techniques TH 1 Advanced Electronic Structure Approaches in FHI-Aims
venue scholar			Fritz-Haber-Institut der Max-Planck-Gesellschaft Berlin
kind scholar			other
first author scholar			Zhang

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

Predicting molecular dipoles by combining atomic partial charges and atomic dipoles other CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Predicting molecular dipoles by combining atomic partial charges and atomic dipoles
kind scholar			other
first author scholar			Veit

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

Using Machine Learning to Create a New Quantum Chemistry Approximation REU PROGRAM IN INTERDISCIPLINARY MATERIALS RESEARCH other CV OA GS Scholar only

CV span

Not in the CV.

Fields by source

Field	CV	OpenAlex	Scholar
title scholar			Using Machine Learning to Create a New Quantum Chemistry Approximation
venue scholar			REU PROGRAM IN INTERDISCIPLINARY MATERIALS RESEARCH
kind scholar			other
first author scholar			Vaido

Citations

OpenAlex: none
Scholar: none

Match decisions

No decision recorded; a single record.

Citations received by year

Publications

In progress

Not counted

Positions

Entries needing review

Entries dropped by a reviewer

Field	OpenAlex	Scholar
title scholar	Orbitally-Resolved Mechanical Properties of Solids from Maximally Localized Wannier Functions	Orbitally-Resolved Mechanical Properties of Solids from Maximally Localized Wannier Functions
year scholar	2025	2025
venue scholar	arXiv (Cornell University)	arXiv preprint arXiv:2510.11945
kind scholar	working_paper	other
DOI openalex	10.48550/arxiv.2510.11945
preprint DOI	10.48550/arxiv.2510.11945
first author scholar	Ritz	Ritz

Field	OpenAlex	Scholar
title scholar	CASE21: Uniting Non-Empirical and Semi-Empirical Density Functional Approximation Strategies using Constraint-Based RegularizationCASE21: Uniting Non-Empirical and Semi-Empirical Density Functional\n Approximation Strategies using Constraint-Based Regularization	CASE21: Uniting Non-empirical and Semi-empirical Density Functional Approximation Strategies Using Constraint-Based Regularization
year scholar	20212021	2021
venue scholar	arXiv (Cornell University)arXiv (Cornell University)	arXiv preprint arXiv:2109.12560
kind scholar	working_paperworking_paper	other
DOI openalex	10.48550/arxiv.2109.1256010.48550/arxiv.2109.12560
preprint DOI	10.48550/arxiv.2109.1256010.48550/arxiv.2109.12560
first author scholar	SparrowSparrow	Sparrow

Field	OpenAlex	Scholar
title scholar	Quantum Mechanics Enables "Freedom of Design" in Molecular Property SpaceQuantum Mechanics Enables "Freedom of Design" in Molecular Property Space	Quantum Mechanics Enables" Freedom of Design" in Molecular Property Space
year scholar	20212021	2021
venue openalex	ChemRxiv
kind openalex	working_paperworking_paper	other
DOI openalex	10.33774/chemrxiv-2021-q9rc210.26434/chemrxiv-2021-q9rc2
preprint DOI openalex	10.33774/chemrxiv-2021-q9rc210.26434/chemrxiv-2021-q9rc2
first author scholar	SandonasSandonas	Sandonas

Field	CV	OpenAlex	Scholar
title scholar			Electronic Supplementary Information Analytical nuclear gradients for the range-separated many-body dispersion model of noncovalent interactions
kind scholar			other
first author scholar			Blood-Forsythe

Field	CV	OpenAlex	Scholar
title scholar			New Concepts, Methods, and Techniques
kind scholar			other
first author scholar			Ren

Title	Organization	Years	Rank	Source	Lines
Assistant Professor current	Cornell University	2015–	Assistant	CV	30, 32
Postdoctoral Research Associate	Princeton University	2009–2015	Postdoc	CV	51, 53
Postdoctoral Research Associate		2009–2015	Postdoc	CV	9
Graduate Student / Research Assistant / Teaching Assistant	University of California, Berkeley	2004–2009	Unknown	CV	66, 68
Graduate Student / Research Assistant / Teaching Assistant	California Institute of Technology	2003–2004	Unknown	CV	85, 87
Undergraduate Student / Research Assistant / Teaching Assistant	Portland State University	1999–2003	Unknown	CV	102, 104
Summer Undergraduate Research Fellow	University of Georgia/Center for Computational and Quantum Chemistry		Postdoc	CV	122, 124
Assistant Professor			Assistant	CV current position	2, 30, 32
Associate Professor, Chemistry and Chemical Biology, Cornell University			Associate	Scholar