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Samuel Poncé
Samuel Poncé
Chercheur qualifié F.R.S.-FNRS / Professeur UCLouvain
Verified email at uclouvain.be - Homepage
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Year
Advanced capabilities for materials modelling with Quantum ESPRESSO
P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ...
Journal of physics: Condensed matter 29 (46), 465901, 2017
46292017
EPW: Electron–phonon coupling, transport and superconducting properties using maximally localized Wannier functions
S Poncé, ER Margine, C Verdi, F Giustino
Computer Physics Communications 209, 116-133, 2016
7432016
Wannier90 as a community code: new features and applications
G Pizzi, V Vitale, R Arita, S Blügel, F Freimuth, G Géranton, M Gibertini, ...
Journal of Physics: Condensed Matter 32 (16), 165902, 2020
7012020
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
6862016
Towards predictive many-body calculations of phonon-limited carrier mobilities in semiconductors
S Poncé, ER Margine, F Giustino
Physical Review B 97 (12), 121201, 2018
2102018
Interatomic potential to study plasticity in stainless steels: the FeNiCr model alloy
G Bonny, D Terentyev, RC Pasianot, S Poncé, A Bakaev
Modelling and simulation in materials science and engineering 19 (8), 085008, 2011
1962011
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
1762014
Temperature dependence of the electronic structure of semiconductors and insulators
S Poncé, Y Gillet, JL Janssen, A Marini, M Verstraete, X Gonze
J. Chem. Phys. 143 (10), 102813, 2015
1502015
First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials
S Poncé, W Li, S Reichardt, F Giustino
Reports on Progress in Physics 83 (3), 036501, 2020
1422020
Dynamical and anharmonic effects on the electron-phonon coupling and the zero-point renormalization of the electronic structure
G Antonius, S Poncé, É Lantagne-Hurtubise, G Auclair, M Côté, X Gonze
Phys. Rev. B 92 (8), 085137, 2015
1212015
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
1172014
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
1142014
Origin of Superconductivity and Latent Charge Density Wave in
C Heil, S Poncé, H Lambert, M Schlipf, ER Margine, F Giustino
Physical review letters 119 (8), 087003, 2017
1122017
Origin of low carrier mobilities in halide perovskites
S Poncé, M Schlipf, F Giustino
ACS Energy Letters 4 (2), 456-463, 2019
1102019
Temperature dependence of the energy levels of methylammonium lead iodide perovskite from first-principles
WA Saidi, S Poncé, B Monserrat
The Journal of Physical Chemistry Letters 7 (24), 5247-5252, 2016
952016
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
842013
Ab initio theory of polarons: Formalism and applications
WH Sio, C Verdi, S Poncé, F Giustino
Physical Review B 99 (23), 235139, 2019
722019
Carrier Lifetimes and Polaronic Mass Enhancement in the Hybrid Halide Perovskite from Multiphonon Fröhlich Coupling
M Schlipf, S Poncé, F Giustino
Physical Review Letters 121 (8), 086402, 2018
712018
Polarons from first principles, without supercells
WH Sio, C Verdi, S Poncé, F Giustino
Physical Review Letters 122 (24), 246403, 2019
702019
A rigorous many-body perturbation theory approach to the electron-phonon interaction, with density-functional theory as a starting point
A Marini, S Ponce, X Gonze
Physical Review B 91 (22), 224310, 2015
672015
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