Követés
Marc Torrent
Marc Torrent
CEA Bruyeres-le-Chatel, France
E-mail megerősítve itt: cea.fr
Cím
Hivatkozott rá
Hivatkozott rá
Év
First-principles computation of material properties: the ABINIT software project
X Gonze, JM Beuken, R Caracas, F Detraux, M Fuchs, GM Rignanese, ...
Computational Materials Science 25 (3), 478-492, 2002
37252002
ABINIT: First-principles approach to material and nanosystem properties
X Gonze, B Amadon, PM Anglade, JM Beuken, F Bottin, P Boulanger, ...
Computer Physics Communications 180 (12), 2582-2615, 2009
30362009
A brief introduction to the ABINIT software package
X Gonze
Zeitschrift für Kristallographie-Crystalline Materials 220 (5-6), 558-562, 2005
15892005
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
1408*2016
Recent developments in the ABINIT software package
X Gonze, F Jollet, FA Araujo, D Adams, B Amadon, T Applencourt, ...
Computer Physics Communications 205, 106-131, 2016
7962016
Implementation of the projector augmented-wave method in the ABINIT code: Application to the study of iron under pressure
M Torrent, F Jollet, F Bottin, G Zérah, X Gonze
Computational Materials Science 42 (2), 337-351, 2008
6562008
Compression curves of transition metals in the Mbar range: Experiments and projector augmented-wave calculations
A Dewaele, M Torrent, P Loubeyre, M Mezouar
Physical Review B 78 (10), 104102, 2008
5092008
The ABINIT project: Impact, environment and recent developments
X Gonze, B Amadon, G Antonius, F Arnardi, L Baguet, JM Beuken, ...
Computer Physics Communications 248, 107042, 2020
4872020
Quasihydrostatic equation of state of iron above 2 Mbar
A Dewaele, P Loubeyre, F Occelli, M Mezouar, PI Dorogokupets, ...
Physical Review Letters 97 (21), 215504, 2006
4552006
Structural, thermodynamic, and electronic properties of plutonium oxides from first principles
G Jomard, B Amadon, F Bottin, M Torrent
Physical Review B 78 (7), 075125, 2008
2822008
Generation of Projector Augmented-Wave atomic data: A 71 element validated table in the XML format
F Jollet, M Torrent, N Holzwarth
Computer Physics Communications 185 (4), 1246-1254, 2014
2802014
γ and β cerium: LDA+ U calculations of ground-state parameters
B Amadon, F Jollet, M Torrent
Physical Review B 77 (15), 155104, 2008
2362008
ABINIT: Overview and focus on selected capabilities
AH Romero, DC Allan, B Amadon, G Antonius, T Applencourt, L Baguet, ...
The Journal of chemical physics 152 (12), 2020
2212020
Enhancements to the GW space-time method
L Steinbeck, A Rubio, L Reining, M Torrent, ID White, RW Godby
Computer physics communications 125 (1-3), 105-118, 2000
952000
Density functional perturbation theory with spin-orbit coupling: Phonon band structure of lead
MJ Verstraete, M Torrent, F Jollet, G Zérah, X Gonze
Physical Review B 78 (4), 045119, 2008
792008
Calculations of the transport properties within the PAW formalism
S Mazevet, M Torrent, V Recoules, F Jollet
High Energy Density Physics 6 (1), 84-88, 2010
762010
Ab initio model of optical properties of two-temperature warm dense matter
B Holst, V Recoules, S Mazevet, M Torrent, A Ng, Z Chen, SE Kirkwood, ...
Physical Review B 90 (3), 035121, 2014
732014
Interatomic force constants including the DFT-D dispersion contribution
B Van Troeye, M Torrent, X Gonze
Physical Review B 93 (14), 144304, 2016
672016
Electronic structure packages: Two implementations of the projector augmented wave (PAW) formalism
M Torrent, NAW Holzwarth, F Jollet, D Harris, N Lepley, X Xu
Computer Physics Communications 181 (11), 1862-1867, 2010
522010
Plane-wave pseudopotential study of the light actinides
N Richard, S Bernard, F Jollet, M Torrent
Physical Review B 66 (23), 235112, 2002
502002
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Cikkek 1–20