G. Zérah - Publications, H-index & Citations

G. Zérah

CEA

27H指数

71论文数

9.6K被引数

收录论文 13

发表时间

The ABINIT project: Impact, environment and recent developments

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2020-03-01

456

OAAI

Gonze, Xavier; Amadon, Bernard; Antonius, Gabriel; Arnardi, Frederic; Baguet, Lucas; Beuken, Jean-Michel; Bieder, Jordan; Bottin, Francois; Bouchet, Johann; Bousquet, Eric; Brouwer, Nils; Bruneval, Fabien; Brunin, Guillaume; Cavignac, Theo; Charraud, Jean-Baptiste; Chen, Wei; Cote, Michel; Cottenier, Stefaan; Denier, Jules; Geneste, Gregory; Ghosez, Philippe; Giantomassi, Matteo; Gillet, Yannick; Gingras, Olivier; Hamann, Donald R.; Hautier, Geoffroy; He, Xu; Helbig, Nicole; Holzwarth, Natalie; Jia, Yongchao; Jollet, Francois; Lafargue-Dit-Hauret, William; Lejaeghere, Kurt; Marques, Miguel A. L.; Martin, Alexandre; Martins, Cyril; Miranda, Henrique P. C.; Naccarato, Francesco; Persson, Kristin; Petretto, Guido; Planes, Valentin; Pouillon, Yann; Prokhorenko, Sergei; Ricci, Fabio; Rignanese, Gian-Marco; Romero, Aldo H.; Schmitt, Michael Marcus; Torrent, Marc; van Setten, Michiel J.; Van Troeye, Benoit; Verstraete, Matthieu J.; Zerah, Gilles; Zwanziger, Josef W.

ABINIT: First-principles approach to material and nanosystem properties ABINIT: 材料和纳米系统特性的第一性原理方法

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2009-12-01

2.4K

PREAI

Gonze, X.; Amadon, B.; Anglade, P. -M.; Beuken, J. -M.; Bottin, F.; Boulanger, P.; Bruneval, F.; Caliste, D.; Caracas, R.; Cote, M.; Deutsch, T.; Genovese, L.; Ghosez, Ph.; Giantomassi, M.; Goedecker, S.; Hamann, D. R.; Hermet, P.; Jollet, F.; Jomard, G.; Leroux, S.; Mancini, M.; Mazevet, S.; Oliveira, M. J. T.; Onida, G.; Pouillon, Y.; Rangel, T.; Rignanese, G. -M.; Sangalli, D.; Shaltaf, R.; Torrent, M.; Verstraete, M. J.; Zerah, G.; Zwanziger, J. W.

Melting curve of aluminum up to 300 GPa obtained through ab initio molecular dynamics simulations 通过从头算分子动力学模拟获得的高达300 GPa的铝熔化曲线

PHYSICAL REVIEW B

IF3.7

2009-09-04

PREAI

Bouchet, J.; Bottin, F.; Jomard, G.; Zerah, G.

Density functional perturbation theory with spin-orbit coupling:: Phonon band structure of lead

PHYSICAL REVIEW B

IF3.7

2008-07-28

OAAI

Verstraete, Matthieu J.; Torrent, Marc; Jollet, Francois; Zerah, Gilles; Gonze, Xavier

Large-scale ab initio calculations based on three levels of parallelization

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2008-04-01

168

OAAI

Bottin, Francois; Leroux, Stephane; Knyazev, Andrew; Zerah, Gilles

Implementation of the projector augmented-wave method in the ABINIT code:: Application to the study of iron under pressure

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2008-04-01

535

PREAI

Torrent, Marc; Jollet, Frangois; Bottin, Francois; Zerah, Gilles; Gonze, Xavier

Convergence stability and estimator in orbital free electronic structure calculation on a grid at finite temperature

JOURNAL OF COMPUTATIONAL PHYSICS

IF3.8

2007-10-01

PREAI

Le Roux, S.; Zerah, G.

Formation enthalpies of monovacancies in aluminum and gold under the condition of intense laser irradiation

PHYSICAL REVIEW B

IF3.7

2007-05-23

PREAI

Bottin, Francois; Zerah, Gilles

High-pressure lattice dynamics and thermodynamic properties of Th:: An ab initio study of phonon dispersion curves

PHYSICAL REVIEW B

IF3.7

2006-10-20

PREAI

Bouchet, J.; Jollet, F.; Zerah, G.

Recursion method for electronic structure calculations

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2004-03-01

PREAI

Lorin, E; Zérah, G

Phase stability and intrinsic stacking faults in aluminum under pressure -: art. no. 094102

PHYSICAL REVIEW B

IF3.7

2003-03-05

PREAI

Fanourgakis, GS; Pontikis, V; Zérah, G

First-principles computation of material properties: the ABINIT software project

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2002-11-01

3.0K

PREAI

Gonze, X; Beuken, JM; Caracas, R; Detraux, F; Fuchs, M; Rignanese, GM; Sindic, L; Verstraete, M; Zerah, G; Jollet, F; Torrent, M; Roy, A; Mikami, M; Ghosez, P; Raty, JY; Allan, DC

Pseudopotentials including semicore states, with an application to barium, alpha-cerium, and thorium

PHYSICAL REVIEW B

IF3.7

1996-07-15

PREAI

Charpentier, T; Zerah, G; Vast, N

研究方向