| 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 | 5153 | 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 | 827 | 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 | 813 | 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 | 723 | 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 | 231 | 2018 |
| 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 | 210 | 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 | 180 | 2014 |
| 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 | 170 | 2020 |
| 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 | 159 | 2015 |
| 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 | 128 | 2015 |
| Origin of low carrier mobilities in halide perovskites S Poncé, M Schlipf, F Giustino ACS Energy Letters 4 (2), 456-463, 2019 | 124 | 2019 |
| 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 | 123 | 2014 |
| 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 | 118 | 2017 |
| 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 | 118 | 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 | 108 | 2016 |
| 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 | 90 | 2013 |
| Ab initio theory of polarons: Formalism and applications WH Sio, C Verdi, S Poncé, F Giustino Physical Review B 99 (23), 235139, 2019 | 86 | 2019 |
| Polarons from first principles, without supercells WH Sio, C Verdi, S Poncé, F Giustino Physical Review Letters 122 (24), 246403, 2019 | 82 | 2019 |
| 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 | 77 | 2018 |
| 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 | 72 | 2015 |
Feliciano GiustinoMoncrief Chair of Quantum Materials Engineering, University of TexasVerified email at oden.utexas.edu
