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J

Jérôme F. Gonthier

qc ware corporation

18H-index
55Paper Count
2.6KCitation Count
Published Papers 20
Publication Date
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Quantum simulation of carbon capture in periodic metal–organic frameworks
errDigital Discovery
IF5.6
err2026-04-17
err0
errOAAI
errDario Rocca; Jérôme F. Gonthier; Joshua Levin; Tobias Schäfer; Andreas Grüneis; Hong Woo Lee; Byeol Kang
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Improving the Runtime of Quantum Phase Estimation for Chemistry through Basis Set Optimization
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-11-01
err0
PREAI
errOllitrault, Pauline J.; Gonthier, Jerome F.; Rocca, Dario; Anselmetti, Gian-Luca; Degroote, Matthias; Moll, Nikolaj; Santagati, Raffaele; Streif, Michael
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Reducing the Runtime of Fault-Tolerant Quantum Simulations in Chemistry through Symmetry-Compressed Double Factorization
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-05-24
err5
errOAAI
errRocca, Dario; Cortes, Cristian L.; Gonthier, JeromeF.; Ollitrault, Pauline J.; Parrish, Robert M.; Anselmetti, Gian-Luca; Degroote, Matthias; Moll, Nikolaj; Santagati, Raffaele; Streif, Michael
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Neural network enhanced measurement efficiency for molecular groundstates
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2023-02-09
err7
errOAAI
errIouchtchenko, Dmitri; Gonthier, Jerome F.; Perdomo-Ortiz, Alejandro; Melko, Roger G.
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Measurements as a roadblock to near-term practical quantum advantage in chemistry: Resource analysis
errPHYSICAL REVIEW RESEARCH
IF4.2
err2022-08-26
err73
errOAAI
errGonthier, Jerome F.; Radin, Maxwell D.; Buda, Corneliu; Doskocil, Eric J.; Abuan, Clena M.; Romero, Jhonathan
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Approaching the basis set limit in Gaussian-orbital-based periodic calculations with transferability: Performance of pure density functionals for simple semiconductors
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-10-22
err26
errOAAI
errLee, Joonho; Feng, Xintian; Cunha, Leonardo A.; Gonthier, Jerome F.; Epifanovsky, Evgeny; Head-Gordon, Martin
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Adaptive pruning-based optimization of parameterized quantum circuits
errQUANTUM SCIENCE AND TECHNOLOGY
IF5
err2021-03-10
err38
errOAAI
errSim, Sukin; Romero, Jonathan; Gonthier, Jerome F.; Kunitsa, Alexander A.
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errSave
Ligand-Controlled Regio-divergent Pathways of Rhodium(III)-Catalyzed Dihydroisoquinolone Synthesis - Experimental and Computational Studies of Different Cyclopentadienyls (vol 20, pg 821, 2014)
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2020-06-02
err1
errOAAI
errWodrich, Matthew D.; Ye, Baihua; Gonthier, Jerome F.; Corminboeuf, Clemence; Cramer, Nicolai
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Compressed intramolecular dispersion interactions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-01-10
err6
errOAAI
errMackie, Cameron J.; Gonthier, Jerome F.; Head-Gordon, Martin
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Assessing Electronic Structure Methods for Long-Range Three-Body Dispersion Interactions: Analysis and Calculations on Well-Separated Metal Atom Trimers
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-06-24
err7
errOAAI
errGonthier, Jerome F.; Head-Gordon, Martin
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errSave
Compressed representation of dispersion interactions and long-range electronic correlations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2017-10-13
err11
errOAAI
errGonthier, Jerome F.; Head-Gordon, Martin
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errSave
PSI4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-06-06
err1.1K
errOAAI
errParrish, Robert M.; Burns, Lori A.; Smith, Daniel G. A.; Simmonett, Andrew C.; DePrince, A. Eugene, III; Hohenstein, Edward G.; Bozkaya, Ugur; Sokolov, Alexander Yu.; Di Remigio, Roberto; Richard, Ryan M.; Gonthier, Jerome F.; James, Andrew M.; McAlexander, Harley R.; Kumar, Ashutosh; Saitow, Masaaki; Wang, Xiao; Pritchard, Benjamin P.; Prakash, Verma; Schaefer, Henry F., III; Patkowski, Konrad; King, Rollin A.; Valeev, Edward F.; Evangelista, Francesco A.; Turney, Justin M.; Crawford, T. Daniel; Sherrill, C. David
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Density-fitted open-shell symmetry-adapted perturbation theory and application to π-stacking in benzene dimer cation and ionized DNA base pair steps
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-10-06
err49
errOAAI
errGonthier, Jerome F.; Sherrill, C. David
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Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-12-09
err29
PREAI
errPastorczak, Ewa; Prlj, Antonio; Gonthier, Jerome F.; Corminboeuf, Clemence
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errSave
Communication: Practical intramolecular symmetry adapted perturbation theory via Hartree-Fock embedding
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-08-04
err70
errOAAI
errParrish, Robert M.; Gonthier, Jerome F.; Corminboeuf, Clemence; Sherrill, C. David
errShare
errSave
Ligand-Controlled Regiodivergent Pathways of Rhodium(III)-Catalyzed Dihydroisoquinolone Synthesis: Experimental and Computational Studies of Different Cyclopentadienyl Ligands
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2014-10-03
err111
PREAI
errWodrich, Matthew D.; Ye, Baihua; Gonthier, Jerome F.; Corminboeuf, Clemence; Cramer, Nicolai
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errSave
Exploration of zeroth-order wavefunctions and energies as a first step toward intramolecular symmetry-adapted perturbation theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-04-18
err24
PREAI
errGonthier, Jerome F.; Corminboeuf, Clemence
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errSave
π-Depletion as a criterion to predict π-stacking ability
errCHEMICAL COMMUNICATIONS
IF4.2
err2012-01-01
err83
PREAI
errGonthier, Jerome F.; Steinmann, Stephan N.; Roch, Loic; Ruggi, Albert; Luisier, Nicolas; Severin, Kay; Corminboeuf, Clemence
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Four-Electron Oxygen Reduction by Tetrathiafulvalene
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2011-07-19
err54
errOAAI
errOlaya, Astrid J.; Ge, Peiyu; Gonthier, Jerome F.; Pechy, Peter; Corminboeuf, Clemence; Girault, Hubert H.
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Branched Alkanes Have Contrasting Stabilities
errORGANIC LETTERS
IF5
err2010-06-03
err39
PREAI
errGonthier, Jerome F.; Wodrich, Matthew D.; Steinmann, Stephan N.; Corminboeuf, Clemence
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Research Directions

No research directions
Co-authors
Cooperation Journals
M
Martin Head‐Gordon
H-index: 130 · Papers: 1.0K
H
Henry F. Schaefer
H-index: 128 · Papers: 2.2K
C
C. David Sherrill
H-index: 85 · Papers: 286
H
Hubert H. Girault
H-index: 82 · Papers: 735
N
Nicolai Cramer
H-index: 79 · Papers: 475
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