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F

François Gygi

University of California Davis

60H-index
330Paper Count
1.3WCitation Count
Published Papers 65
Publication Date
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Characterizing Defect Dynamics in Silicon Carbide Using Symmetry-Adapted Collective Variables and Machine Learning Interatomic Potentials
errJournal of Chemical Theory and Computation
IF5.5
err2026-04-23
err0
PREAI
errSoumajit Dutta; Cunzhi Zhang; Gustavo Perez Lemus; Juan J. de Pablo; Francois Gygi; Giulia Galli; Andrew L. Ferguson
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Computational Study of Indium Oxide Photoelectrodes
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2025-04-16
err0
PREAI
errBousquet, Matthew; Zhan, Jiawei; Luo, Chunxin; Martinson, Alex B.; Gygi, Francois; Galli, Giulia
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Effects of Solvation and Temperature on the Energetics of BiVO4 Surfaces with Varying Composition for Solar Water Splitting
errACS ENERGY LETTERS
IF18.2
err2024-10-01
err0
PREAI
errMelani, Giacomo; Wang, Wennie; Gygi, Francois; Choi, Kyoung-Shin; Galli, Giulia
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Engineering the formation of spin-defects from first principles (vol 14, 5985, 2023)
errNATURE COMMUNICATIONS
IF15.7
err2024-07-02
err1
errOAAI
errZhang, Cunzhi; Gygi, Francois; Galli, Giulia
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Charge state and entropic effects affecting the formation and dynamics of divacancies in 3C-SiC
errPHYSICAL REVIEW MATERIALS
IF3.4
err2024-04-05
err0
PREAI
errZhang, Cunzhi; Gygi, Francois; Galli, Giulia
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Engineering the formation of spin-defects from first principles
errNATURE COMMUNICATIONS
IF15.7
err2023-09-26
err6
errOAAI
errZhang, Cunzhi; Gygi, Francois; Galli, Giulia
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All-Electron Plane-Wave Electronic Structure Calculations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-02-09
err12
errOAAI
errGygi, Francois
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Quantum vibronic effects on the electronic properties of solid and molecular carbon
errPHYSICAL REVIEW MATERIALS
IF3.4
err2021-07-26
err20
errOAAI
errKundu, Arpan; Govoni, Marco; Yang, Han; Ceriotti, Michele; Gygi, Francois; Galli, Giulia
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Capturing the Complete Reaction Profile of a C-H Bond Activation
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2021-04-16
err29
PREAI
errGygi, David; Gonzalez, Miguel, I; Hwang, Seung Jun; Xia, Kay T.; Qin, Yangzhong; Johnson, Elizabeth J.; Gygi, Francois; Chen, Yu-Sheng; Nocera, Daniel G.
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Code interoperability extends the scope of quantum simulations
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2021-02-19
err13
errOAAI
errGovoni, Marco; Whitmer, Jonathan; de Pablo, Juan; Gygi, Francois; Galli, Giulia
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Validating first-principles molecular dynamics calculations of oxide/water interfaces with x-ray reflectivity data
errPHYSICAL REVIEW MATERIALS
IF3.4
err2020-11-16
err15
errOAAI
errHarmon, Katherine J.; Letchworth-Weaver, Kendra; Gaiduk, Alex P.; Giberti, Federico; Gygi, Francois; Chan, Maria K. Y.; Fenter, Paul; Galli, Giulia
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Dissociation of salts in water under pressure
errNATURE COMMUNICATIONS
IF15.7
err2020-06-16
err31
errOAAI
errZhang, Cunzhi; Giberti, Federico; Sevgen, Emre; de Pablo, Juan J.; Gygi, Francois; Galli, Giulia
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errSave
A Finite-Field Approach for GW Calculations beyond the Random Phase Approximation (vol 15, pg 154, 2019)
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-03-17
err4
errOAAI
errMa, He; Govoni, Marco; Gygi, Francois; Galli, Giulia
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Ensemble first-principles molecular dynamics simulations of water using the SCAN meta-GGA density functional
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-10-22
err30
errOAAI
errLaCount, Michael D.; Gygi, Francois
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A Finite-Field Approach for GW Calculations beyond the Random Phase Approximation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-12-06
err27
errOAAI
errMa, He; Govoni, Marco; Gygi, Francois; Galli, Giulia
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The role of defects and excess surface charges at finite temperature for optimizing oxide photoabsorbers
errNATURE MATERIALS
IF38.5
err2018-10-29
err68
errOAAI
errGerosa, Matteo; Gygi, Francois; Govoni, Marco; Galli, Giulia
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Hierarchical Coupling of First-Principles Molecular Dynamics with Advanced Sampling Methods
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-04-25
err23
PREAI
errSevgen, Emre; Giberti, Federico; Sidky, Hythem; Whitmer, Jonathan K.; Galli, Giulia; Gygi, Francois; de Pablo, Juan J.
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Equilibration and analysis of first-principles molecular dynamics simulations of water
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-03-22
err50
errOAAI
errDawson, William; Gygi, Francois
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First-principles simulations of heat transport
errPHYSICAL REVIEW MATERIALS
IF3.4
err2017-11-17
err45
errOAAI
errPuligheddu, Marcello; Gygi, Francois; Galli, Giulia
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Blind test of density-functional-based methods on intermolecular interaction energies
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-09-23
err107
errOAAI
errTaylor, DeCarlos E.; Angyan, Janos G.; Galli, Giulia; Zhang, Cui; Gygi, Francois; Hirao, Kimihiko; Song, Jong Won; Rahul, Kar; von Lilienfeld, O. Anatole; Podeszwa, Rafat; Bulik, Ireneusz W.; Henderson, Thomas M.; Scuseria, Gustavo E.; Toulouse, Julien; Peverati, Roberto; Truhlar, Donald G.; Szalewicz, Krzysztof
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Research Directions

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Co-authors
Cooperation Journals
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Zhenan Bao
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Donald G. Truhlar
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A. Paul Alivisatos
H-index: 174 · Papers: 724
G
Gustavo E. Scuseria
H-index: 125 · Papers: 748
D
Daniel G. Nocera
H-index: 116 · Papers: 1.0K
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