Francois Gygi
Francois Gygi
Professor of Computer Science, University of California Davis
Verified email at ucdavis.edu
TitleCited byYear
Towards an assessment of the accuracy of density functional theory for first principles simulations of water
JC Grossman, E Schwegler, EW Draeger, F Gygi, G Galli
The Journal of chemical physics 120 (1), 300-311, 2004
5252004
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), aad3000, 2016
4382016
Self-consistent electronic structure of a vortex line in a type-II superconductor
F Gygi, M Schlüter
Physical Review B 43 (10), 7609, 1991
3911991
Water confined in nanotubes and between graphene sheets: A first principle study
G Cicero, JC Grossman, E Schwegler, F Gygi, G Galli
Journal of the American Chemical Society 130 (6), 1871-1878, 2008
3712008
Towards an assessment of the accuracy of density functional theory for first principles simulations of water. II
E Schwegler, JC Grossman, F Gygi, G Galli
The Journal of chemical physics 121 (11), 5400-5409, 2004
3642004
Growth of carbon nanotubes on metal nanoparticles: a microscopic mechanism from ab initio molecular dynamics simulations
JY Raty, F Gygi, G Galli
Physical review letters 95 (9), 096103, 2005
3502005
Optimization algorithm for the generation of ONCV pseudopotentials
M Schlipf, F Gygi
Computer Physics Communications 196, 36-44, 2015
3312015
Selective dispersion of high purity semiconducting single-walled carbon nanotubes with regioregular poly (3-alkylthiophene) s
HW Lee, Y Yoon, S Park, JH Oh, S Hong, LS Liyanage, H Wang, ...
Nature communications 2 (1), 1-8, 2011
3112011
The solvation of Na+ in water: First-principles simulations
JA White, E Schwegler, G Galli, F Gygi
The Journal of Chemical Physics 113 (11), 4668-4673, 2000
2482000
Self-healing of CdSe nanocrystals: first-principles calculations
A Puzder, AJ Williamson, F Gygi, G Galli
Physical review letters 92 (21), 217401, 2004
2382004
Crystal structure of carbon dioxide at high pressure:“Superhard” polymeric carbon dioxide
CS Yoo, H Cynn, F Gygi, G Galli, V Iota, M Nicol, S Carlson, ...
Physical Review Letters 83 (26), 5527, 1999
2341999
Self-consistent Hartree-Fock and screened-exchange calculations in solids: Application to silicon
F Gygi, A Baldereschi
Physical Review B 34 (6), 4405, 1986
2271986
Real-space adaptive-coordinate electronic-structure calculations
F Gygi, G Galli
Physical Review B 52 (4), R2229, 1995
2121995
Impurity states in doped fullerenes: C59B and C59N
W Andreoni, F Gygi, M Parrinello
Chemical physics letters 190 (3-4), 159-162, 1992
1991992
Quasiparticle energies in semiconductors: Self-energy correction to the local-density approximation
F Gygi, A Baldereschi
Physical review letters 62 (18), 2160, 1989
1971989
A first principles molecular dynamics simulation of the hydrated magnesium ion
FC Lightstone, E Schwegler, RQ Hood, F Gygi, G Galli
Chemical Physics Letters 343 (5-6), 549-555, 2001
1752001
Electronic-structure calculations in adaptive coordinates
F Gygi
Physical Review B 48 (16), 11692, 1993
1741993
Water under pressure
E Schwegler, G Galli, F Gygi
Physical Review Letters 84 (11), 2429, 2000
1602000
Density functional theory for efficient ab initio molecular dynamics simulations in solution
JL Fattebert, F Gygi
Journal of computational chemistry 23 (6), 662-666, 2002
1562002
Architecture of Qbox: A scalable first-principles molecular dynamics code
F Gygi
IBM Journal of Research and Development 52 (1.2), 137-144, 2008
1422008
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