de Gironcoli, Stefano Maria
de Gironcoli, Stefano Maria
A parallel orbital-updating based plane-wave basis method for electronic structure calculations
2017-01-01 Pan, Yan; Dai, Xiaoying; de Gironcoli, Stefano; Gong, Xin-Gao; Rignanese, Gian-Marco; Zhou, Aihui
A systematic approach to generating accurate neural network potentials: the case of carbon
2021-01-01 Shaidu, Y.; Kucukbenli, E.; Lot, R.; Pellegrini, F.; Kaxiras, E.; de Gironcoli, S.
Ab initio Al-27 NMR chemical shifts and quadrupolar parameters for Al2O3 phases and their precursors
2011-01-01 Ferreira, Ar; Kucukbenli, E; Leitao, Aa; de Gironcoli, Stefano Maria
Ab initio calculation of phonon dispersions in semiconductors
1991-01-01 Giannozzi, P.; De Gironcoli, S.; Pavone, P.; Baroni, S.
Ab initio calculation of the thermal properties of Cu: Performance of the LDA and GGA
2002-01-01 Narasimhan, S.; de Gironcoli, S.
Ab initio lattice dynamics of MgSiO3 perovskite at high pressure
2000-01-01 Karki, B. B.; Wentzcovitch, R. M.; de Gironcoli, S.; Baroni, S.
Ab initio phonon calculations in solids
1996-01-01 Pavone, P.; Bauer, R.; Karch, K.; Schutt, O.; Vent, S.; Windl, W.; Strauch, D.; Baroni, S.; De Gironcoli, S.
Ab initio phonon dispersions of Fe and Ni
2000-01-01 Dal Corso, Andrea; de Gironcoli, Stefano Maria
Ab initio self-consistent total-energy calculations within the EXX/RPA formalism
2014-01-01 Nguyen, N. L.; Colonna, Nicola; de Gironcoli, Stefano Maria
Ab initio study of Be (0001) surface thermal expansion
1998-01-01 Lazzeri, M.; de Gironcoli, S.
Ab initio study of Be (1010) surface dynamical properties
2000-01-01 Lazzeri, M.; de Gironcoli, S.
Ab initio study of phonons in wurtzite AlxGa1-xN alloys
2000-01-01 Bungaro, C.; de Gironcoli, S.
Ab-initio calculation of phonon dispersions in II-VI semiconductors
1993-01-01 Dal Corso, Andrea; Baroni, Stefano; Resta, R; de Gironcoli, Stefano Maria
Ab-initio dynamical properties of the Be(0001) surface
1998-01-01 Lazzeri, M.; de Gironcoli, S.
Activated adsorption of ethylene on atomic-oxygen-covered Ag(100) and Ag(210): Formation of an oxametallacycle
2008-01-01 Kokalj, Anton; Gava, Paola; de Gironcoli, Stefano Maria; Baroni, Stefano
Adsorption of atomic oxygen on Ag(001): a study based on density-functional theory
2002-01-01 Cipriani, G.; Loffreda, D.; Dal Corso, A.; de Gironcoli, S.; Baroni, S.
Adsorption of chlorine on Ag(111): no subsurface Cl at low coverage
2008-01-01 Gava, Paola; Kokalj, Anton; de Gironcoli, Stefano Maria; Baroni, Stefano
Adsorption of ethylene on stepped Ag(n10) surfaces
2004-01-01 Kokalj, A.; Dal Corso, A.; de Gironcoli, S.; Baroni, S.
Adsorption of ethylene on the Ag(001) surface
2002-01-01 Kokalj, A; Dal Corso, Andrea; de Gironcoli, Stefano Maria; Baroni, Stefano
Advanced capabilities for materials modelling with Quantum ESPRESSO
2017-01-01 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.; Kücükbenli, E.; Lazzeri, M.; Marsili, M.; Marzari, N.; Mauri, F.; Nguyen, N. L.; Nguyen, H. -V.; Otero-De-La-Roza, A.; Paulatto, L.; Poncé, 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.