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 | 3766 | 2002 |
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 | 3059 | 2009 |
A brief introduction to the ABINIT software package X Gonze Zeitschrift für Kristallographie-Crystalline Materials 220 (5-6), 558-562, 2005 | 2053* | 2005 |
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 | 1520* | 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 | 874 | 2016 |
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 | 686 | 2008 |
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 | 621 | 2020 |
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—Condensed Matter and Materials Physics 78 (10), 104102, 2008 | 554 | 2008 |
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 | 475 | 2006 |
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 | 314 | 2014 |
Structural, thermodynamic, and electronic properties of plutonium oxides from first principles G Jomard, B Amadon, F Bottin, M Torrent Physical Review B—Condensed Matter and Materials Physics 78 (7), 075125, 2008 | 293 | 2008 |
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 | 279 | 2020 |
and cerium: calculations of ground-state parameters B Amadon, F Jollet, M Torrent Physical Review B—Condensed Matter and Materials Physics 77 (15), 155104, 2008 | 245 | 2008 |
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 | 97 | 2000 |
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—Condensed Matter and Materials Physics 78 (4), 045119, 2008 | 86 | 2008 |
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 | 81 | 2014 |
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 | 80 | 2010 |
Interatomic force constants including the DFT-D dispersion contribution B Van Troeye, M Torrent, X Gonze Physical Review B 93 (14), 144304, 2016 | 70 | 2016 |
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 | 63 | 2010 |
DFT+ study of self-trapping, trapping, and mobility of oxygen-type hole polarons in barium stannate G Geneste, B Amadon, M Torrent, G Dezanneau Physical Review B 96 (13), 134123, 2017 | 52 | 2017 |