de Gironcoli, Stefano Maria
de Gironcoli, Stefano Maria
1ST-PRINCIPLES CALCULATION OF THE VIBRATIONAL PROPERTIES OF GAXAL1-XAS ALLOYS
1990-01-01 Baroni, S; DE GIRONCOLI, S; Giannozzi, P
A NOVEL-APPROACH TO THE STRUCTURE AND THERMODYNAMICS OF SEMICONDUCTOR ALLOYS
1990-01-01 De Gironcoli, S.; Baroni, S.; Giannozzi, P.
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
Activation-Relaxation Technique: An efficient way to find minima and saddle points of potential energy surfaces
2022-01-01 Jay, Antoine; Gunde, Miha; Salles, Nicolas; Poberznik, Matic; Martin-Samos, m Layla; Richard, Nicolas; de Gironcoli, Stefano; Mousseau, Normand; Hemeryck, Anne
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