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
8152 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
1605 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
1184 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
872 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
319 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
300 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
284 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
209 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
199 2015 Origin of low carrier mobilities in halide perovskites S Poncé, M Schlipf, F Giustino
ACS Energy Letters 4 (2), 456-463, 2019
184 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
152 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
150 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 Ab initio theory of polarons: Formalism and applicationsWH Sio, C Verdi, S Poncé, F Giustino
Physical Review B 99 (23), 235139, 2019
138 2019 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
138 2016 Polarons from first principles, without supercells WH Sio, C Verdi, S Poncé, F Giustino
Physical Review Letters 122 (24), 246403, 2019
128 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
119 2014 Hole mobility of strained GaN from first principles S Poncé, D Jena, F Giustino
Physical Review B 100 (8), 085204, 2019
112 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
107 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 được xác minh tại oden.utexas.edu