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 | 2986 | 2009 |
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 | 665 | 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 | 529 | 2020 |
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 | 284 | 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 | 241 | 2020 |
Large-scale ab initio calculations based on three levels of parallelization F Bottin, S Leroux, A Knyazev, G Zérah Computational Materials Science 42 (2), 329-336, 2008 | 208 | 2008 |
Stability and electronic structure of the polar surfaces by first-principles calculations F Bottin, F Finocchi, C Noguera Physical Review B 68 (3), 035418, 2003 | 198 | 2003 |
Melting curve of aluminum up to 300 GPa obtained through ab initio molecular dynamics simulations J Bouchet, F Bottin, G Jomard, G Zérah Physical Review B—Condensed Matter and Materials Physics 80 (9), 094102, 2009 | 107 | 2009 |
High pressure-temperature phase diagram and equation of state of titanium A Dewaele, V Stutzmann, J Bouchet, F Bottin, F Occelli, M Mezouar Physical Review B 91 (13), 134108, 2015 | 65 | 2015 |
Ab initio molecular dynamics simulations of dense boron plasmas up to the semiclassical Thomas-Fermi regime S Mazevet, F Lambert, F Bottin, G Zérah, J Clérouin Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 75 (5 …, 2007 | 55 | 2007 |
Thermodynamics of hydration and oxidation in the proton conductor Gd-doped barium cerate from density functional theory calculations J Hermet, F Bottin, G Dezanneau, G Geneste Physical Review B—Condensed Matter and Materials Physics 85 (20), 205137, 2012 | 50 | 2012 |
High-temperature and high-pressure phase transitions in uranium J Bouchet, F Bottin Physical Review B 95 (5), 054113, 2017 | 46 | 2017 |
Formation enthalpies of monovacancies in aluminum and gold under the condition of intense laser irradiation F Bottin, G Zérah Physical Review B—Condensed Matter and Materials Physics 75 (17), 174114, 2007 | 44 | 2007 |
Strong isotope effect in phase II of dense solid hydrogen and deuterium G Geneste, M Torrent, F Bottin, P Loubeyre Physical Review Letters 109 (15), 155303, 2012 | 42 | 2012 |
Hydrogen diffusion in the protonic conductor BaCeGdO from density functional theory J Hermet, M Torrent, F Bottin, G Dezanneau, G Geneste Physical Review B—Condensed Matter and Materials Physics 87 (10), 104303, 2013 | 41 | 2013 |
Thermodynamic stability of PuO surfaces: Influence of electronic correlations G Jomard, F Bottin Physical Review B—Condensed Matter and Materials Physics 84 (19), 195469, 2011 | 39 | 2011 |
High-pressure melting curve of titanium V Stutzmann, A Dewaele, J Bouchet, F Bottin, M Mezouar Physical Review B 92 (22), 224110, 2015 | 36 | 2015 |
Ab initio calculations of the B1-B2 phase transition in MgO J Bouchet, F Bottin, V Recoules, F Remus, G Morard, RM Bolis, ... Physical Review B 99 (9), 094113, 2019 | 35 | 2019 |
Thermal evolution of vibrational properties of -U J Bouchet, F Bottin Physical Review B 92 (17), 174108, 2015 | 34 | 2015 |
Water adsorption and dissociation on the PuO2 (1 1 0) surface G Jomard, F Bottin, G Geneste Journal of Nuclear Materials 451 (1-3), 28-34, 2014 | 33 | 2014 |