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
3035 2009 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
795 2016 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
282 2008 Stability of oxygen point defects in B Dorado, G Jomard, M Freyss, M Bertolus
Physical Review B 82 (3), 035114, 2010
234 2010 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
221 2020 First-principles calculations to describe zirconia pseudopolymorphs G Jomard, T Petit, A Pasturel, L Magaud, G Kresse, J Hafner
Physical Review B 59 (6), 4044, 1999
218 1999 Advances in first-principles modelling of point defects in UO2: f electron correlations and the issue of local energy minima B Dorado, M Freyss, B Amadon, M Bertolus, G Jomard, P Garcia
Journal of Physics: Condensed Matter 25 (33), 333201, 2013
108 2013 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 80 (9), 094102, 2009
101 2009 Hybrid functional for correlated electrons in the projector augmented-wave formalism: Study of multiple minima for actinide oxides F Jollet, G Jomard, B Amadon, JP Crocombette, D Torumba
Physical Review B 80 (23), 235109, 2009
96 2009 DFT+ U investigation of charged point defects and clusters in UO2 E Vathonne, J Wiktor, M Freyss, G Jomard, M Bertolus
Journal of Physics: Condensed Matter 26 (32), 325501, 2014
90 2014 Full-potential calculations using the generalized-gradient corrections: structural properties of Ti, Zr and Hf under compression G Jomard, L Magaud, A Pasturel
Philosophical Magazine B 77 (1), 67-74, 1998
68 1998 Location of krypton atoms in uranium dioxide T Petit, G Jomard, C Lemaignan, B Bigot, A Pasturel
Journal of nuclear materials 275 (1), 119-123, 1999
56 1999 Coupled experimental and J Wiktor, MF Barthe, G Jomard, M Torrent, M Freyss, M Bertolus
Physical Review B 90 (18), 184101, 2014
49 2014 Two-component density functional theory within the projector augmented-wave approach: Accurate and self-consistent computations of positron lifetimes and momentum distributions J Wiktor, G Jomard, M Torrent
Physical Review B 92 (12), 125113, 2015
42 2015 Positron annihilation spectroscopy investigation of vacancy clusters in silicon carbide: Combining experiments and electronic structure calculations J Wiktor, X Kerbiriou, G Jomard, S Esnouf, MF Barthe, M Bertolus
Physical Review B 89 (15), 155203, 2014
40 2014 Thermodynamic stability of PuO G Jomard, F Bottin
Physical Review B 84 (19), 195469, 2011
39 2011 CARACAS. An industrial model for the description of fission gas behavior in LWR-UO_2 fuel G Jomard, C Struzik, A Boulore, P Mailhé, V Auret, R Largenton
36 2014 Electronic structure investigation of energetics and positron lifetimes of fully relaxed monovacancies with various charge states in 3 J Wiktor, G Jomard, M Torrent, M Bertolus
Physical Review B 87 (23), 235207, 2013
35 2013 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 New Pseudophase Structure for J Bouchet, RC Albers, MD Jones, G Jomard
Physical review letters 92 (9), 095503, 2004
33 2004 