| QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ... Journal of physics: Condensed matter 21 (39), 395502, 2009 | 25947 | 2009 |
| 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 | 5588 | 2017 |
| Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 Perovskites for Solar Cell Applications P Umari, E Mosconi, F De Angelis Scientific reports 4 (1), 4467, 2014 | 1331 | 2014 |
| Cation-induced band-gap tuning in organohalide perovskites: interplay of spin–orbit coupling and octahedra tilting A Amat, E Mosconi, E Ronca, C Quarti, P Umari, MK Nazeeruddin, ... Nano letters 14 (6), 3608-3616, 2014 | 1171 | 2014 |
| Ab initio Molecular Dynamics in a Finite Homogeneous Electric Field P Umari, A Pasquarello Physical Review Letters 89 (15), 157602, 2002 | 369 | 2002 |
| GW quasiparticle spectra from occupied states only P Umari, G Stenuit, S Baroni Physical Review B 81 (11), 115104, 2010 | 204 | 2010 |
| Raman scattering intensities in α-quartz: A first-principles investigation P Umari, A Pasquarello, A Dal Corso Physical Review B 63 (9), 094305, 2001 | 199 | 2001 |
| Electronic and optical properties of mixed Sn–Pb organohalide perovskites: a first principles investigation E Mosconi, P Umari, F De Angelis Journal of Materials Chemistry A 3 (17), 9208-9215, 2015 | 189 | 2015 |
| Concentration of small ring structures in vitreous silica from a first-principles analysis of the Raman spectrum P Umari, X Gonze, A Pasquarello Physical review letters 90 (2), 027401, 2003 | 169 | 2003 |
| Electronic and optical properties of MAPbX 3 perovskites (X= I, Br, Cl): a unified DFT and GW theoretical analysis E Mosconi, P Umari, F De Angelis Physical Chemistry Chemical Physics 18 (39), 27158-27164, 2016 | 158 | 2016 |
| Optimal representation of the polarization propagator for large-scale calculations P Umari, G Stenuit, S Baroni Physical Review B 79 (20), 201104, 2009 | 136 | 2009 |
| Microscopic theory and quantum simulation of atomic heat transport A Marcolongo, P Umari, S Baroni Nature Physics 12 (1), 80-84, 2016 | 119 | 2016 |
| Dielectric discontinuity at interfaces in the atomic-scale limit: Permittivity of ultrathin oxide films on silicon F Giustino, P Umari, A Pasquarello Physical review letters 91 (26), 267601, 2003 | 102 | 2003 |
| Infrared dielectric screening determines the low exciton binding energy of metal-halide perovskites P Umari, E Mosconi, F De Angelis The Journal of Physical Chemistry Letters 9 (3), 620-627, 2018 | 99 | 2018 |
| Medium-range structure of vitreous obtained through first-principles investigation of vibrational spectra L Giacomazzi, P Umari, A Pasquarello Physical Review B 79 (6), 064202, 2009 | 86 | 2009 |
| Fraction of boroxol rings in vitreous boron oxide from a first-principles analysis of Raman and NMR spectra P Umari, A Pasquarello Physical review letters 95 (13), 137401, 2005 | 83 | 2005 |
| Medium-range structural properties of vitreous germania obtained through first-principles analysis of vibrational spectra L Giacomazzi, P Umari, A Pasquarello Physical review letters 95 (7), 075505, 2005 | 76 | 2005 |
| Vibrational spectra of vitreous germania from first-principles L Giacomazzi, P Umari, A Pasquarello Physical Review B 74 (15), 155208, 2006 | 74 | 2006 |
| Energy-level alignment in organic dye-sensitized TiO2 from GW calculations P Umari, L Giacomazzi, F De Angelis, M Pastore, S Baroni The Journal of Chemical Physics 139 (1), 2013 | 61 | 2013 |
| First-principles investigation of electronic, structural, and vibrational properties of L Giacomazzi, P Umari Physical Review B 80 (14), 144201, 2009 | 54 | 2009 |
