| 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 | 10159 | 2017 |
| Quantum ESPRESSO toward the exascale P Giannozzi, O Baseggio, P Bonfà, D Brunato, R Car, I Carnimeo, ... The Journal of chemical physics 152 (15), 2020 | 2062 | 2020 |
| Methylammonium rotational dynamics in lead halide perovskite by classical molecular dynamics: the role of temperature A Mattoni, A Filippetti, MI Saba, P Delugas The Journal of Physical Chemistry C 119 (30), 17421-17428, 2015 | 352 | 2015 |
| Spontaneous 2-Dimensional Carrier Confinement at the -Type Interface P Delugas, A Filippetti, V Fiorentini, DI Bilc, D Fontaine, P Ghosez Physical review letters 106 (16), 166807, 2011 | 259 | 2011 |
| Thermally activated point defect diffusion in methylammonium lead trihalide: anisotropic and ultrahigh mobility of iodine P Delugas, C Caddeo, A Filippetti, A Mattoni The journal of physical chemistry letters 7 (13), 2356-2361, 2016 | 171 | 2016 |
| Exchange interactions and magnetic phases of transition metal oxides: Benchmarking advanced ab initio methods T Archer, CD Pemmaraju, S Sanvito, C Franchini, J He, A Filippetti, ... Physical Review B—Condensed Matter and Materials Physics 84 (11), 115114, 2011 | 112 | 2011 |
| Variational pseudo-self-interaction-corrected density functional approach to the ab initio description of correlated solids and molecules A Filippetti, CD Pemmaraju, S Sanvito, P Delugas, D Puggioni, ... Physical Review B—Condensed Matter and Materials Physics 84 (19), 195127, 2011 | 110 | 2011 |
| Temperature evolution of methylammonium trihalide vibrations at the atomic scale A Mattoni, A Filippetti, MI Saba, C Caddeo, P Delugas The Journal of Physical Chemistry Letters 7 (3), 529-535, 2016 | 107 | 2016 |
| Low electron-polar optical phonon scattering as a fundamental aspect of carrier mobility in methylammonium lead halide CH 3 NH 3 PbI 3 perovskites A Filippetti, A Mattoni, C Caddeo, MI Saba, P Delugas Physical Chemistry Chemical Physics 18 (22), 15352-15362, 2016 | 107 | 2016 |
| Dielectric properties and long-wavelength optical modes of the high- oxide P Delugas, V Fiorentini, A Filippetti Physical Review B—Condensed Matter and Materials Physics 71 (13), 134302, 2005 | 103 | 2005 |
| Methylammonium lead-iodide perovskite: Recombination and photoconversion of an inorganic semiconductor within a hybrid body A Filippetti, P Delugas, A Mattoni The Journal of Physical Chemistry C 118 (43), 24843-24853, 2014 | 98* | 2014 |
| Prediction of a native ferroelectric metal A Filippetti, V Fiorentini, F Ricci, P Delugas, J Íñiguez Nature communications 7 (1), 11211, 2016 | 96 | 2016 |
| Quantum ESPRESSO: One Further Step toward the Exascale I Carnimeo, F Affinito, S Baroni, O Baseggio, L Bellentani, R Bertossa, ... Journal of Chemical Theory and Computation 19 (20), 6992-7006, 2023 | 95 | 2023 |
| Doping-dependent band structure of LaAlO/SrTiO interfaces by soft x-ray polarization-controlled resonant angle-resolved photoemission C Cancellieri, ML Reinle-Schmitt, M Kobayashi, VN Strocov, PR Willmott, ... Physical Review B 89 (12), 121412, 2014 | 92 | 2014 |
| Appealing perspectives of hybrid lead–iodide perovskites as thermoelectric materials A Filippetti, C Caddeo, P Delugas, A Mattoni The Journal of Physical Chemistry C 120 (50), 28472-28479, 2016 | 89 | 2016 |
| Roadmap on electronic structure codes in the exascale era V Gavini, S Baroni, V Blum, DR Bowler, A Buccheri, JR Chelikowsky, ... Modelling and Simulation in Materials Science and Engineering 31 (6), 063301, 2023 | 83 | 2023 |
| Giant oscillating thermopower at oxide interfaces I Pallecchi, F Telesio, D Li, A Fête, S Gariglio, JM Triscone, A Filippetti, ... Nature communications 6 (1), 6678, 2015 | 80 | 2015 |
| Meta-screening and permanence of polar distortion in metallized ferroelectrics HJ Zhao, A Filippetti, C Escorihuela-Sayalero, P Delugas, E Canadell, ... Physical Review B 97 (5), 054107, 2018 | 72 | 2018 |
| Dielectric Properties of High- Oxides: Theory and Experiment for E Bonera, G Scarel, M Fanciulli, P Delugas, V Fiorentini Physical review letters 94 (2), 027602, 2005 | 72 | 2005 |
| Methylammonium fragmentation in amines as source of localized trap levels and the healing role of Cl in hybrid lead-iodide perovskites P Delugas, A Filippetti, A Mattoni Physical Review B 92 (4), 045301, 2015 | 68 | 2015 |
