Francois Gygi
Affiliations: | Applied Science Engineering | University of California, Davis, Davis, CA |
Area:
General Physics, Applied Mathematics, Computer ScienceGoogle:
"Francois Gygi"
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Publications
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| Gygi F. (2023) All-Electron Plane-Wave Electronic Structure Calculations. Journal of Chemical Theory and Computation. 19: 1300-1309 |
| Zhang C, Giberti F, Sevgen E, et al. (2020) Dissociation of salts in water under pressure. Nature Communications. 11: 3037 |
| LaCount MD, Gygi F. (2019) Ensemble first-principles molecular dynamics simulations of water using the SCAN meta-GGA density functional. The Journal of Chemical Physics. 151: 164101 |
| Nguyen NL, Ma H, Govoni M, et al. (2019) Finite-Field Approach to Solving the Bethe-Salpeter Equation. Physical Review Letters. 122: 237402 |
| Ma H, Govoni M, Gygi F, et al. (2018) A Finite-field Approach for GW Calculations Beyond the Random Phase Approximation. Journal of Chemical Theory and Computation |
| Gerosa M, Gygi F, Govoni M, et al. (2018) The role of defects and excess surface charges at finite temperature for optimizing oxide photoabsorbers. Nature Materials |
| Gaiduk AP, Gustafson JA, Gygi F, et al. (2018) First-Principles Simulations of Liquid Water Using a Dielectric-Dependent Hybrid Functional. The Journal of Physical Chemistry Letters |
| Sevgen E, Giberti F, Sidky H, et al. (2018) Hierarchical Coupling of First Principles Molecular Dynamics with Advanced Sampling Methods. Journal of Chemical Theory and Computation |
| Dawson W, Gygi F. (2018) Equilibration and analysis of first-principles molecular dynamics simulations of water. The Journal of Chemical Physics. 148: 124501 |
| Taylor DE, Ángyán JG, Galli G, et al. (2016) Blind test of density-functional-based methods on intermolecular interaction energies. The Journal of Chemical Physics. 145: 124105 |