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
426 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
195 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
185 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
133 2015 Temperature dependence of electronic eigenenergies in the adiabatic harmonic approximation S Poncé, G Antonius, Y Gillet, P Boulanger, JL Janssen, A Marini, M Côté, ...
Physical Review B 90 (21), 214304, 2014
129 2014 M Stankovski, G Antonius, D Waroquiers, A Miglio, H Dixit, K Sankaran, ...
Physical Review B 84 (24), 241201, 2011
123 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
120 2014 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
87 2018 Electron-Phonon Coupling from Ab Initio Linear-Response Theory within the Z Li, G Antonius, M Wu, FH da Jornada, SG Louie
Physical review letters 122 (18), 186402, 2019
82 2019 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
73 2020 Theory of exciton-phonon coupling G Antonius, SG Louie
Physical Review B 105 (8), 085111, 2022
54 2022 Temperature-induced topological phase transitions: promoted versus suppressed nontrivial topology G Antonius, SG Louie
Physical review letters 117 (24), 246401, 2016
48 2016 Orbital symmetry and the optical response of single-layer MX monochalcogenides G Antonius, DY Qiu, SG Louie
Nano letters 18 (3), 1925-1929, 2018
43 2018 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
39 2020 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
30 2020 Effects of plasmon pole models on the G0 W0 electronic structure of various oxides A Miglio, D Waroquiers, G Antonius, M Giantomassi, M Stankovski, ...
The European Physical Journal B 85, 1-8, 2012
30 2012 Static subspace approximation for the evaluation of M Del Ben, FH da Jornada, G Antonius, T Rangel, SG Louie, J Deslippe, ...
Physical Review B 99 (12), 125128, 2019
19 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
12 2020 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
12 2019 Polaron spectral properties in doped ZnO and G Antonius, YH Chan, SG Louie
Physical Review Research 2 (4), 043296, 2020
10 2020 
Xavier GonzeProfessor of Computational Material Science (UCLouvain, Belgium)Adresse e-mail validée de uclouvain.be
