| 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 | 3773 | 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 | 3071 | 2009 |
| A brief introduction to the ABINIT software package X Gonze, GM Rignanese, M Verstraete, JM Beuken, Y Pouillon, ... Zeitschrift für Kristallographie-Crystalline Materials 220 (5-6), 558-562, 2005 | 2056* | 2005 |
| 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 | 1634 | 2018 |
| BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients GKH Madsen, J Carrete, MJ Verstraete Computer Physics Communications 231, 140-145, 2018 | 1136 | 2018 |
| 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 | 876 | 2016 |
| 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 | 637 | 2020 |
| Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems X Andrade, D Strubbe, U De Giovannini, AH Larsen, MJT Oliveira, ... Physical Chemistry Chemical Physics 17 (47), 31371-31396, 2015 | 586 | 2015 |
| The high conductivity of iron and thermal evolution of the Earth’s core H Gomi, K Ohta, K Hirose, S Labrosse, R Caracas, MJ Verstraete, ... Physics of the Earth and Planetary Interiors 224, 88-103, 2013 | 319 | 2013 |
| 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 | 286 | 2020 |
| Temperature dependence of the electronic structure of semiconductors and insulators S Poncé, Y Gillet, J Laflamme Janssen, A Marini, M Verstraete, X Gonze The Journal of Chemical Physics 143 (10), 2015 | 194 | 2015 |
| TB2J: A python package for computing magnetic interaction parameters X He, N Helbig, MJ Verstraete, E Bousquet Computer Physics Communications 264, 107938, 2021 | 182 | 2021 |
| Thermal conductivity in PbTe from first principles AH Romero, EKU Gross, MJ Verstraete, O Hellman Physical Review B 91 (21), 214310, 2015 | 142 | 2015 |
| Electron-beam manipulation of silicon dopants in graphene M Tripathi, A Mittelberger, NA Pike, C Mangler, JC Meyer, MJ Verstraete, ... Nano Letters 18 (8), 5319-5323, 2018 | 137 | 2018 |
| Two-step phase transition in SnSe and the origins of its high power factor from first principles A Dewandre, O Hellman, S Bhattacharya, AH Romero, GKH Madsen, ... Physical review letters 117 (27), 276601, 2016 | 113 | 2016 |
| Density functional theory beyond the linear regime: Validating an adiabatic local density approximation N Helbig, JI Fuks, M Casula, MJ Verstraete, MAL Marques, IV Tokatly, ... Physical Review A 83 (3), 032503, 2011 | 109 | 2011 |
| First principles explanation of the positive seebeck coefficient of lithium B Xu, MJ Verstraete Physical review letters 112 (19), 196603, 2014 | 102 | 2014 |
| Electron-phonon beyond Fröhlich: dynamical quadrupoles in polar and covalent solids G Brunin, HPC Miranda, M Giantomassi, M Royo, M Stengel, ... Physical Review Letters 125 (13), 136601, 2020 | 97 | 2020 |
| First-principles calculation of the electronic, dielectric, and dynamical properties of CaF 2 M Verstraete, X Gonze Physical Review B 68 (19), 195123, 2003 | 93 | 2003 |
| 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 | 89 | 2008 |
Xavier GonzeProfessor of Computational Material Science (UCLouvain, Belgium)確認したメール アドレス: uclouvain.be