| 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 | 603 | 2020 |
| 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 | 267 | 2020 |
| Many-body effects on the zero-point renormalization of the band structure G Antonius, S Poncé, P Boulanger, M Côté, X Gonze Physical Review Letters 112 (21), 215501, 2014 | 204 | 2014 |
| Dynamical and anharmonic effects on the electron-phonon coupling and the zero-point renormalization of the electronic structure MC Gabriel Antonius, Samuel Poncé, Étienne Lantagne-Hurtubise, Gabriel ... Physical Review B 92 (8), 085137, 2015 | 147 | 2015 |
| Temperature dependence of electronic eigenenergies in the adiabatic harmonic approximation S Poncé, G Antonius, Y Gillet, P Boulanger, J Laflamme Janssen, A Marini, ... Physical Review B 90 (21), 214304, 2014 | 143 | 2014 |
| band gap of ZnO: Effects of plasmon-pole models M Stankovski, G Antonius, D Waroquiers, A Miglio, H Dixit, K Sankaran, ... Physical Review B—Condensed Matter and Materials Physics 84 (24), 241201, 2011 | 131 | 2011 |
| Verification of first-principles codes: Comparison of total energies, phonon frequencies, electron–phonon coupling and zero-point motion correction to the gap between ABINIT … S Poncé, G Antonius, P Boulanger, E Cannuccia, A Marini, M Côté, ... Computational materials science 83, 341-348, 2014 | 122 | 2014 |
| Electron-Phonon Coupling from Ab Initio Linear-Response Theory within the Method: Correlation-Enhanced Interactions and Superconductivity in Z Li, G Antonius, M Wu, FH Da Jornada, SG Louie Physical review letters 122 (18), 186402, 2019 | 103 | 2019 |
| Quasiparticles and phonon satellites in spectral functions of semiconductors and insulators: Cumulants applied to the full first-principles theory and the Fröhlich polaron JP Nery, PB Allen, G Antonius, L Reining, A Miglio, X Gonze Physical Review B 97 (11), 115145, 2018 | 91 | 2018 |
| Theory of exciton-phonon coupling G Antonius, SG Louie Physical Review B 105 (8), 085111, 2022 | 90 | 2022 |
| Predominance of non-adiabatic effects in zero-point renormalization of the electronic band gap A Miglio, V Brousseau-Couture, E Godbout, G Antonius, YH Chan, ... npj Computational Materials 6 (1), 167, 2020 | 90 | 2020 |
| Reproducibility in G0W0 calculations for solids T Rangel, M Del Ben, D Varsano, G Antonius, F Bruneval, FH da Jornada, ... Computer Physics Communications 255, 107242, 2020 | 55 | 2020 |
| Orbital symmetry and the optical response of single-layer MX monochalcogenides G Antonius, DY Qiu, SG Louie Nano letters 18 (3), 1925-1929, 2018 | 54 | 2018 |
| Temperature-induced topological phase transitions: Promoted versus suppressed nontrivial topology G Antonius, SG Louie Physical review letters 117 (24), 246401, 2016 | 53 | 2016 |
| Band gap renormalization, carrier mobilities, and the electron-phonon self-energy in crystalline naphthalene F Brown-Altvater, G Antonius, T Rangel, M Giantomassi, C Draxl, X Gonze, ... Physical Review B 101 (16), 165102, 2020 | 36 | 2020 |
| 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, 1-8, 2012 | 33 | 2012 |
| Static subspace approximation for the evaluation of quasiparticle energies within a sum-over-bands approach M Del Ben, FH da Jornada, G Antonius, T Rangel, SG Louie, J Deslippe, ... Physical Review B 99 (12), 125128, 2019 | 23 | 2019 |
| Layer-dependent electronic structure of atomically resolved two-dimensional gallium selenide telluride A Azizi, G Antonius, E Regan, R Eskandari, S Kahn, F Wang, SG Louie, ... Nano letters 19 (3), 1782-1787, 2019 | 17 | 2019 |
| Temperature dependence of the topological phase transition of BiTeI from first principles V Brousseau-Couture, G Antonius, M Côté Physical Review Research 2 (2), 023185, 2020 | 16 | 2020 |
| Polaron spectral properties in doped ZnO and from first principles G Antonius, YH Chan, SG Louie Physical Review Research 2 (4), 043296, 2020 | 12 | 2020 |
Xavier GonzeProfessor of Computational Material Science (UCLouvain, Belgium)Verified email at uclouvain.be
