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
8092 2017 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
1595 2020 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
1177 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
876 2016 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
313 2018 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
295 2020 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
286 2011 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
208 2014 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
194 2015 Origin of low carrier mobilities in halide perovskites S Poncé, M Schlipf, F Giustino
ACS Energy Letters 4 (2), 456-463, 2019
181 2019 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
153 2017 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
149 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
144 2014 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
136 2016 Ab initio theory of polarons: Formalism and applicationsWH Sio, C Verdi, S Poncé, F Giustino
Physical Review B 99 (23), 235139, 2019
131 2019 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
123 2014 Polarons from first principles, without supercells WH Sio, C Verdi, S Poncé, F Giustino
Physical Review Letters 122 (24), 246403, 2019
121 2019 Hole mobility of strained GaN from first principles S Poncé, D Jena, F Giustino
Physical Review B 100 (8), 085204, 2019
113 2019 Carrier Lifetimes and Polaronic Mass Enhancement in the Hybrid Halide Perovskite M Schlipf, S Poncé, F Giustino
Physical Review Letters 121 (8), 086402, 2018
106 2018 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—Condensed Matter and Materials Physics 87 (7), 075121, 2013
99 2013 
Feliciano GiustinoMoncrief Chair of Quantum Materials Engineering, University of TexasEmail verificata su oden.utexas.edu