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Paolo Umari
Paolo Umari
Подтвержден адрес электронной почты в домене unipd.it
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Процитировано
Процитировано
Год
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
233922009
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
46292017
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
12592014
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
10802014
Ab initio Molecular Dynamics in a Finite Homogeneous Electric Field
P Umari, A Pasquarello
Physical Review Letters 89 (15), 157602, 2002
3542002
GW quasiparticle spectra from occupied states only
P Umari, G Stenuit, S Baroni
Physical Review B 81 (11), 115104, 2010
1992010
Raman scattering intensities in α-quartz: A first-principles investigation
P Umari, A Pasquarello, A Dal Corso
Physical Review B 63 (9), 094305, 2001
1962001
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
1782015
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
1662003
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
1362016
Optimal representation of the polarization propagator for large-scale calculations
P Umari, G Stenuit, S Baroni
Physical Review B 79 (20), 201104, 2009
1322009
Microscopic theory and quantum simulation of atomic heat transport
A Marcolongo, P Umari, S Baroni
Nature Physics 12 (1), 80-84, 2016
1022016
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
982003
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
872018
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
862009
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
802005
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
762005
Vibrational spectra of vitreous germania from first-principles
L Giacomazzi, P Umari, A Pasquarello
Physical Review B 74 (15), 155208, 2006
732006
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), 014709, 2013
582013
First-principles investigation of electronic, structural, and vibrational properties of
L Giacomazzi, P Umari
Physical Review B 80 (14), 144201, 2009
512009
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Статьи 1–20