Francois Gygi
Francois Gygi
Professor of Computer Science, University of California Davis
Adresse e-mail validée de ucdavis.edu
Titre
Citée par
Citée par
Année
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
5412004
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), 2016
5352016
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
4042008
Self-consistent electronic structure of a vortex line in a type-II superconductor
F Gygi, M Schlüter
Physical Review B 43 (10), 7609, 1991
4011991
Optimization algorithm for the generation of ONCV pseudopotentials
M Schlipf, F Gygi
Computer Physics Communications 196, 36-44, 2015
3852015
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
3812004
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
3642005
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
3292011
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
2572000
Self-healing of CdSe nanocrystals: first-principles calculations
A Puzder, AJ Williamson, F Gygi, G Galli
Physical review letters 92 (21), 217401, 2004
2442004
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
2401999
Self-consistent Hartree-Fock and screened-exchange calculations in solids: Application to silicon
F Gygi, A Baldereschi
Physical Review B 34 (6), 4405, 1986
2381986
Real-space adaptive-coordinate electronic-structure calculations
F Gygi, G Galli
Physical Review B 52 (4), R2229, 1995
2151995
Impurity states in doped fullerenes: C59B and C59N
W Andreoni, F Gygi, M Parrinello
Chemical physics letters 190 (3-4), 159-162, 1992
2031992
Quasiparticle energies in semiconductors: Self-energy correction to the local-density approximation
F Gygi, A Baldereschi
Physical review letters 62 (18), 2160, 1989
2021989
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
1802001
Electronic-structure calculations in adaptive coordinates
F Gygi
Physical Review B 48 (16), 11692, 1993
1741993
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
1692002
Architecture of Qbox: A scalable first-principles molecular dynamics code
F Gygi
IBM Journal of Research and Development 52 (1.2), 137-144, 2008
1652008
Water under pressure
E Schwegler, G Galli, F Gygi
Physical Review Letters 84 (11), 2429, 2000
1622000
Le système ne peut pas réaliser cette opération maintenant. Veuillez réessayer plus tard.
Articles 1–20