UMARI, PAOLO
UMARI, PAOLO
Istituto Officina dei Materiali - IOM -
A Fully Linear Response G0W0 Method That Scales Linearly up to Tens of Thousands of Cores
2022 Umari, P
Surface susceptibility and conductivity of MoS2 and WSe2 monolayers: A first-principles and ellipsometry characterization
2020 Elliott J.D.; Xu Z.; Umari P.; Jayaswal G.; Chen M.; Zhang X.; Martucci A.; Marsili M.; Merano M.
Transition Dipole Moments of n = 1, 2, and 3 Perovskite Quantum Wells from the Optical Stark Effect and Many-Body Perturbation Theory
2020 Proppe, A. H.; Walters, G. W.; Alsalloum, A. Y.; Zhumekenov, A. A.; Mosconi, E.; Kelley, S. O.; De Angelis, F.; Adamska, L.; Umari, P.; Bakr, O. M.; Sargent, E. H.
Electronic structure of MAPbI(3) and MAPbCl(3): importance of band alignment
2019 Caputo, Marco; Cefarin, Nicola; Radivo, Andrea; Demitri, Nicola; Gigli, Lara; Plaisier, Jasper R.; Panighel, Mirco; Di Santo, Giovanni; Moretti, Sacha; Giglia, Angelo; Polentarutti, Maurizio; De Angelis, Filippo; Mosconi, Edoardo; Umari, Paolo; Tormen, Massimo; Goldoni, Andrea
Koopmans Meets Bethe-Salpeter: Excitonic Optical Spectra without GW
2019 Elliott, Jd; Colonna, N; Marsili, M; Marzari, N; Umari, P
Infrared Dielectric Screening Determines the Low Exciton Binding Energy of Metal-Halide Perovskites
2018 Umari, Paolo; Mosconi, Edoardo; DE ANGELIS, Filippo
Advanced capabilities for materials modelling with Quantum ESPRESSO
2017 Giannozzi, P; Andreussi, O; Brumme, T; Bunau, O; Buongiorno Nardelli, M; Calandra, M; Car, R; Cavazzoni, C; Ceresoli, D; Cococcioni, M; Colonna, N; Carnimeo, I; Dal Corso, A; De Gironcoli, S; Delugas, P; Distasio, Ra; Ferretti, A; Floris, A; Fratesi, G; Fugallo, G; Gebauer, R; Gerstmann, U; Giustino, F; Gorni, T; Jia, J; Kawamura, M; Ko, Hy; Kokalj, A; Kücükbenli, E; Lazzeri, M; Marsili, M; Marzari, N; Mauri, F; Nguyen, Nl; Nguyen, Hv; Oterodelaroza, A; Paulatto, L; Poncé, S; Rocca, D; Sabatini, R; Santra, B; Schlipf, M; Seitsonen, Ap; Smogunov, A; Timrov, I; Thonhauser, T; Umari, P; Vast, N; Wu, Xa; Baroni, S
Chlorine Incorporation in the CH3NH3PbI3 Perovskite: Small Concentration, Big Effect
2016 Claudio Quarti; Edoardo Mosconi; Paolo Umari; Filippo De Angelis
Gauge Invariance of Thermal Transport Coefficients
2016 Ercole L.; Marcolongo A.; Umari P.; Baroni S.
Electronic and optical properties of mixed Sn-Pb organohalide perovskites: A first principles investigation
2015 Mosconi E.; Umari P.; De Angelis F.
First-principles investigation of organic photovoltaic materials C-60, C-70, [C-60]PCBM, and bis-[C-60]PCBM using a many-body G(0)W(0)-Lanczos approach
2015 Xiaofeng Qian; Paolo Umari;;Nicola Marzari;
Alignment of energy levels in dye/semiconductor interfaces by GW calculations: Effects due to coadsorption of solvent molecules
2014 Verdi C.; Mosconi E.; De Angelis F.; Marsili M.; Umari P.
Approximate treatment of semicore states in GW calculations with application to Au clusters
2014 Xian, Jiawei; Baroni, Stefano; Umari, P.
Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin-Orbit Coupling and Octahedra Tilting
2014 Amat, Anna; Mosconi, Edoardo; Ronca, Enrico; Quarti, Claudio; Umari, Paolo; Nazeeruddin Md, K; Graetzel, Michael; DE ANGELIS, Filippo
Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 Perovskites for Solar Cell Applications
2014 Umari, Paolo; Mosconi, Edoardo; DE ANGELIS, Filippo
Solid state effects on the electronic structure of H2OEP
2014 Marsili, M.; Umari, P.; Di Santo, G.; Caputo, M.; Panighel, M.; Goldoni, A.; Kumar, M.; Pedio, M.
Energy-level alignment in organic dye-sensitized TiO<sub>2</sub> from GW calculations
2013 Umari, P; Giacomazzi, L; De Angelis, F; Pastore, M; Baroni, Stefano
Method for the fast evaluation of Fock exchange for nonlocalized wave functions
2013 Marsili, Margherita; Umari, P
Communication: Electronic band gaps of semiconducting zig-zag carbon nanotubes from many-body perturbation theory calculations
2012 Umari, P; Petrenko, O; Taioli, S; De Souza, M M
Accelerating GW calculations with optimal polarizability basis
2011 Umari, P; Qian, X; Marzari, N; Stenuit, G; Giacomazzi, L; Baroni, S
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| A Fully Linear Response G0W0 Method That Scales Linearly up to Tens of Thousands of Cores | 1-gen-2022 | Umari, P | |
| Surface susceptibility and conductivity of MoS2 and WSe2 monolayers: A first-principles and ellipsometry characterization | 1-gen-2020 | Elliott J.D.; Xu Z.; Umari P.; Jayaswal G.; Chen M.; Zhang X.; Martucci A.; Marsili M.; Merano M. | |
| Transition Dipole Moments of n = 1, 2, and 3 Perovskite Quantum Wells from the Optical Stark Effect and Many-Body Perturbation Theory | 1-gen-2020 | Proppe, A. H.; Walters, G. W.; Alsalloum, A. Y.; Zhumekenov, A. A.; Mosconi, E.; Kelley, S. O.; De Angelis, F.; Adamska, L.; Umari, P.; Bakr, O. M.; Sargent, E. H. | |
| Electronic structure of MAPbI(3) and MAPbCl(3): importance of band alignment | 1-gen-2019 | Caputo, Marco; Cefarin, Nicola; Radivo, Andrea; Demitri, Nicola; Gigli, Lara; Plaisier, Jasper R.; Panighel, Mirco; Di Santo, Giovanni; Moretti, Sacha; Giglia, Angelo; Polentarutti, Maurizio; De Angelis, Filippo; Mosconi, Edoardo; Umari, Paolo; Tormen, Massimo; Goldoni, Andrea | |
| Koopmans Meets Bethe-Salpeter: Excitonic Optical Spectra without GW | 1-gen-2019 | Elliott, Jd; Colonna, N; Marsili, M; Marzari, N; Umari, P | |
| Infrared Dielectric Screening Determines the Low Exciton Binding Energy of Metal-Halide Perovskites | 1-gen-2018 | Umari, Paolo; Mosconi, Edoardo; DE ANGELIS, Filippo | |
| Advanced capabilities for materials modelling with Quantum ESPRESSO | 1-gen-2017 | Giannozzi, P; Andreussi, O; Brumme, T; Bunau, O; Buongiorno Nardelli, M; Calandra, M; Car, R; Cavazzoni, C; Ceresoli, D; Cococcioni, M; Colonna, N; Carnimeo, I; Dal Corso, A; De Gironcoli, S; Delugas, P; Distasio, Ra; Ferretti, A; Floris, A; Fratesi, G; Fugallo, G; Gebauer, R; Gerstmann, U; Giustino, F; Gorni, T; Jia, J; Kawamura, M; Ko, Hy; Kokalj, A; Kücükbenli, E; Lazzeri, M; Marsili, M; Marzari, N; Mauri, F; Nguyen, Nl; Nguyen, Hv; Oterodelaroza, A; Paulatto, L; Poncé, S; Rocca, D; Sabatini, R; Santra, B; Schlipf, M; Seitsonen, Ap; Smogunov, A; Timrov, I; Thonhauser, T; Umari, P; Vast, N; Wu, Xa; Baroni, S | |
| Chlorine Incorporation in the CH3NH3PbI3 Perovskite: Small Concentration, Big Effect | 1-gen-2016 | Claudio Quarti; Edoardo Mosconi; Paolo Umari; Filippo De Angelis | |
| Gauge Invariance of Thermal Transport Coefficients | 1-gen-2016 | Ercole L.; Marcolongo A.; Umari P.; Baroni S. | |
| Electronic and optical properties of mixed Sn-Pb organohalide perovskites: A first principles investigation | 1-gen-2015 | Mosconi E.; Umari P.; De Angelis F. | |
| First-principles investigation of organic photovoltaic materials C-60, C-70, [C-60]PCBM, and bis-[C-60]PCBM using a many-body G(0)W(0)-Lanczos approach | 1-gen-2015 | Xiaofeng Qian; Paolo Umari;;Nicola Marzari; | |
| Alignment of energy levels in dye/semiconductor interfaces by GW calculations: Effects due to coadsorption of solvent molecules | 1-gen-2014 | Verdi C.; Mosconi E.; De Angelis F.; Marsili M.; Umari P. | |
| Approximate treatment of semicore states in GW calculations with application to Au clusters | 1-gen-2014 | Xian, Jiawei; Baroni, Stefano; Umari, P. | |
| Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin-Orbit Coupling and Octahedra Tilting | 1-gen-2014 | Amat, Anna; Mosconi, Edoardo; Ronca, Enrico; Quarti, Claudio; Umari, Paolo; Nazeeruddin Md, K; Graetzel, Michael; DE ANGELIS, Filippo | |
| Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 Perovskites for Solar Cell Applications | 1-gen-2014 | Umari, Paolo; Mosconi, Edoardo; DE ANGELIS, Filippo | |
| Solid state effects on the electronic structure of H2OEP | 1-gen-2014 | Marsili, M.; Umari, P.; Di Santo, G.; Caputo, M.; Panighel, M.; Goldoni, A.; Kumar, M.; Pedio, M. | |
| Energy-level alignment in organic dye-sensitized TiO<sub>2</sub> from GW calculations | 1-gen-2013 | Umari, P; Giacomazzi, L; De Angelis, F; Pastore, M; Baroni, Stefano | |
| Method for the fast evaluation of Fock exchange for nonlocalized wave functions | 1-gen-2013 | Marsili, Margherita; Umari, P | |
| Communication: Electronic band gaps of semiconducting zig-zag carbon nanotubes from many-body perturbation theory calculations | 1-gen-2012 | Umari, P; Petrenko, O; Taioli, S; De Souza, M M | |
| Accelerating GW calculations with optimal polarizability basis | 1-gen-2011 | Umari, P; Qian, X; Marzari, N; Stenuit, G; Giacomazzi, L; Baroni, S |