| 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 | 2142 | 2009 |
| 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 | 361 | 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 | 270 | 2016 |
| v.; Speybroeck, VV; Wills, JM; Yates, JR; Zhang, G.-X.; Cottenier, S K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ... Science 351, 6280, 2016 | 115 | 2016 |
| band gap of ZnO: Effects of plasmon-pole models M Stankovski, G Antonius, D Waroquiers, A Miglio, H Dixit, K Sankaran, ... Physical Review B 84 (24), 241201, 2011 | 93 | 2011 |
| The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table MJ Van Setten, M Giantomassi, E Bousquet, MJ Verstraete, DR Hamann, ... Computer Physics Communications 226, 39-54, 2018 | 81 | 2018 |
| Electron-phonon interaction in graphite intercalation compounds L Boeri, GB Bachelet, M Giantomassi, OK Andersen Physical Review B 76 (6), 064510, 2007 | 68 | 2007 |
| Electrons and phonons in the ternary alloy CaAl 2− x Si x as a function of composition M Giantomassi, L Boeri, GB Bachelet Physical Review B 72 (22), 224512, 2005 | 61 | 2005 |
| Electronic properties of interfaces and defects from many‐body perturbation theory: Recent developments and applications M Giantomassi, M Stankovski, R Shaltaf, M Grüning, F Bruneval, P Rinke, ... physica status solidi (b) 248 (2), 275-289, 2011 | 59 | 2011 |
| Band widths and gaps from the Tran-Blaha functional: Comparison with many-body perturbation theory D Waroquiers, A Lherbier, A Miglio, M Stankovski, S Poncé, MJT Oliveira, ... Physical Review B 87 (7), 075121, 2013 | 55 | 2013 |
| Unresolved problems in superconductivity of CaC6 II Mazin, L Boeri, OV Dolgov, AA Golubov, GB Bachelet, M Giantomassi, ... Physica C: Superconductivity and its applications 460, 116-120, 2007 | 40 | 2007 |
| First-principles study of excitonic effects in Raman intensities Y Gillet, M Giantomassi, X Gonze Physical Review B 88 (9), 094305, 2013 | 38 | 2013 |
| Understanding thermal quenching of photoluminescence in oxynitride phosphors from first principles S Poncé, Y Jia, M Giantomassi, M Mikami, X Gonze The Journal of Physical Chemistry C 120 (7), 4040-4047, 2016 | 28 | 2016 |
| Origin of Magnetism and Quasiparticles Properties in Cr-Doped F Da Pieve, S Di Matteo, T Rangel, M Giantomassi, D Lamoen, ... Physical review letters 110 (13), 136402, 2013 | 23 | 2013 |
| Convergence of quasiparticle band structures of Si and Ge nanowires in the approximation and the validity of scissor shifts H Peelaers, B Partoens, M Giantomassi, T Rangel, E Goossens, ... Physical Review B 83 (4), 045306, 2011 | 21 | 2011 |
| Effects of plasmon pole models on the G0W0 electronic structure of various oxides A Miglio, D Waroquiers, G Antonius, M Giantomassi, M Stankovski, ... The European Physical Journal B 85 (9), 322, 2012 | 20 | 2012 |
| High-throughput density-functional perturbation theory phonons for inorganic materials G Petretto, S Dwaraknath, HPC Miranda, D Winston, M Giantomassi, ... Scientific data 5, 180065, 2018 | 17 | 2018 |
| Automation methodologies and large-scale validation for : Towards high-throughput calculations MJ Van Setten, M Giantomassi, X Gonze, GM Rignanese, G Hautier Physical Review B 96 (15), 155207, 2017 | 16 | 2017 |
| Implementation of techniques for computing optical properties in 0–3 dimensions, including a real-space cutoff, in ABINIT C Motta, M Giantomassi, M Cazzaniga, K Gaál-Nagy, X Gonze Computational materials science 50 (2), 698-703, 2010 | 15 | 2010 |
| Ab initio approach to second-order resonant Raman scattering including exciton-phonon interaction Y Gillet, S Kontur, M Giantomassi, C Draxl, X Gonze Scientific reports 7 (1), 7344, 2017 | 12 | 2017 |
Xavier GonzeProfessor of Computational Material Science, UCLouvain and SkoltechVerified email at uclouvain.be
