de Gironcoli, Stefano Maria

de Gironcoli, Stefano Maria  

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Titolo Data di pubblicazione Autori File
1ST-PRINCIPLES CALCULATION OF THE VIBRATIONAL PROPERTIES OF GAXAL1-XAS ALLOYS 1-gen-1990 BARONI, SDE GIRONCOLI, SGIANNOZZI, P
A NOVEL-APPROACH TO THE STRUCTURE AND THERMODYNAMICS OF SEMICONDUCTOR ALLOYS 1-gen-1990 De Gironcoli, S.Baroni, S.Giannozzi, P.
A parallel orbital-updating based plane-wave basis method for electronic structure calculations 1-gen-2017 de Gironcoli, Stefano +
A systematic approach to generating accurate neural network potentials: the case of carbon 1-gen-2021 Shaidu Y.Kucukbenli E.Lot R.Pellegrini F.de Gironcoli S. +
Ab initio Al-27 NMR chemical shifts and quadrupolar parameters for Al2O3 phases and their precursors 1-gen-2011 de Gironcoli, Stefano Maria +
Ab initio calculation of phonon dispersions in semiconductors 1-gen-1991 Giannozzi, P.De Gironcoli, S.Baroni, S. +
Ab initio calculation of the thermal properties of Cu: Performance of the LDA and GGA 1-gen-2002 de Gironcoli, S. +
Ab initio lattice dynamics of MgSiO3 perovskite at high pressure 1-gen-2000 de Gironcoli, S.Baroni, S. +
Ab initio phonon calculations in solids 1-gen-1996 Baroni, S.De Gironcoli, S. +
Ab initio phonon dispersions of Fe and Ni 1-gen-2000 Dal Corso, Andreade Gironcoli, Stefano Maria
Ab initio self-consistent total-energy calculations within the EXX/RPA formalism 1-gen-2014 Colonna, Nicolade Gironcoli, Stefano Maria +
Ab initio study of Be (0001) surface thermal expansion 1-gen-1998 de Gironcoli, S. +
Ab initio study of Be (1010) surface dynamical properties 1-gen-2000 de Gironcoli, S. +
Ab initio study of phonons in wurtzite AlxGa1-xN alloys 1-gen-2000 de Gironcoli, S. +
Ab-initio calculation of phonon dispersions in II-VI semiconductors 1-gen-1993 Dal Corso, AndreaBaroni, Stefanode Gironcoli, Stefano Maria +
Ab-initio dynamical properties of the Be(0001) surface 1-gen-1998 de Gironcoli, S. +
Activated adsorption of ethylene on atomic-oxygen-covered Ag(100) and Ag(210): Formation of an oxametallacycle 1-gen-2008 Kokalj, AntonGava, Paolade Gironcoli, Stefano MariaBaroni, Stefano
Activation-Relaxation Technique: An efficient way to find minima and saddle points of potential energy surfaces 1-gen-2022 Salles, NicolasPoberznik, Maticde Gironcoli, Stefano +
Adsorption of atomic oxygen on Ag(001): a study based on density-functional theory 1-gen-2002 Loffreda, D.Dal Corso, A.de Gironcoli, S.Baroni, S. +
Adsorption of chlorine on Ag(111): no subsurface Cl at low coverage 1-gen-2008 Gava, PaolaKokalj, Antonde Gironcoli, Stefano MariaBaroni, Stefano