UMARI, PAOLO
UMARI, PAOLO
Dipartimento di Fisica e Astronomia "Galileo Galilei" - DFA
A Fully Linear Response G0W0Method That Scales Linearly up to Tens of Thousands of Cores
2022 Umari, P.
Ab initio molecular dynamics ia a finite homogeneous electric field
2002 Umari, Paolo; Pasquarello, A.
Accelerating GW calculations with optimal polarizability basis
2011 Umari, Paolo; Qian, X; Marzari, N; Stenuit, G; Giacomazzi, L; Baroni, S.
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, R. A.; Ferretti, A.; Floris, A.; Fratesi, G.; Fugallo, G.; Gebauer, R.; Gerstmann, U.; Giustino, F.; Gorni, T.; Jia, J.; Kawamura, M.; Ko, H. -Y.; Kokalj, A.; Kucukbenli, E.; Lazzeri, M.; Marsili, M.; Marzari, N.; Mauri, F.; Nguyen, N. L.; Nguyen, H. -V.; Otero-De-La-Roza, A.; Paulatto, L.; Ponce, S.; Rocca, D.; Sabatini, R.; Santra, B.; Schlipf, M.; Seitsonen, A. P.; Smogunov, A.; Timrov, I.; Thonhauser, T.; Umari, P.; Vast, N.; Wu, X.; Baroni, S.
Alignment of energy levels in dye/semiconductor interfaces by GW calculations: Effects due to coadsorption of solvent molecules
2014 Carla, Verdi; Edoardo, Mosconi; Filippo De, Angelis; Marsili, Margherita; Umari, Paolo
Approximate treatment of semicore states in GW calculations with application to Au clusters
2014 Jiawei, Xian; Stefano, Baroni; Umari, Paolo
Are carbon nanotubes still a viable option for ITRS 2024?2013 IEEE International Electron Devices Meeting
2013 P. B., Pillai; Umari, Paolo; M. M., De Souza
Artificial photosynthesis: photoanodes based on polyquinoid dyes onto mesoporous tin oxide surface
2021 Volpato, G. A.; Colusso, E.; Paoloni, L.; Forchetta, M.; Sgarbossa, F.; Cristino, V.; Lunardon, M.; Berardi, S.; Caramori, S.; Agnoli, S.; Sabuzi, F.; Umari, P.; Martucci, A.; Galloni, P.; Sartorel, A.
Bethe-Salpeter equation approach with electron-phonon coupling for exciton binding energies
2021 Adamska, L.; Umari, P.
Bonding at the organic/metal interface: Adenine to Cu(110)
2009 Feyer, V; Plekan, O; Prince, Kc; Sutara, F; Skala, T; Chab, V; Matolin, V; Stenuit, G; Umari, Paolo
Car-Parrinello Molecular Dynamics in a Finite Homogeneous Electric Field
2003 Umari, Paolo; Pasquarello, A.
Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin–Orbit Coupling and Octahedra Tilting
2014 Anna, Amat; Edoardo, Mosconi; Enrico, Ronca; Claudio, Quarti; Umari, Paolo; Nazeeruddin, M. d. K.; Michael, Grätzel; Filippo De, Angelis
Chlorine Incorporation in the CH3NH3PbI3 Perovskite: Small Concentration, Big Effect
2017 Quarti, Claudio; Mosconi, Edoardo; Umari, Paolo; De Angelis, Filippo
Comment on "fraction of boroxol rings in vitreous boron oxide from a first-principles analysis of Raman and NMR spectra" Umari and Pasquarello reply
2006 Umari, Paolo; Pasquarello, A.
Communication: Electronic band gaps of semiconducting zig-zag carbon nanotubes from many-body perturbation theory calculations
2012 Umari, Paolo; O., Petrenko; S., Taioli; M. M., De Souza
Concentration of small ring structures in vitreous silica from a first-principles analysis of the Raman spectrum
2003 Umari, Paolo; Gonze, X; Pasquarello, A.
Density functional perturbation theory for dielectric tensors in the ultrasoft pseudopotential scheme
2004 Umari, Paolo; Gonze, X; Pasquarello, A.
Density Functional Theory with Finite Electric Fields
2005 Umari, Paolo; Pasquarello, A.
Detailed analysis of plastic shear in the Raman spectra of SiO2 glass
2015 Shcheblanov, Nikita S; Mantisi, Boris; Umari, Paolo; Tanguy, Anne
Dielectric discontinuity at interfaces in the atomic scale limit: permittivity of ultrathin oxide films on silicon
2003 Giustino, F; Umari, Paolo; Pasquarello, A.