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Mostrati risultati da 118 a 137 di 13.524
Titolo Data di pubblicazione Autori File
Ab initio calculation of structural and electronic properties of α-Ga surfaces 29-ott-1993 Bernasconi, Marco
Ab initio calculation of the band offset at strained GaAs/InAs (001) heterojunctions 1-gen-1993 Baroni, S. +
Ab initio calculation of the low-frequency Raman cross section in silicon 1-gen-1986 Baroni, S.Resta, R.
Ab initio calculation of the macroscopic dielectric constant in silicon 1-gen-1986 Baroni, S.Resta, R.
Ab initio calculation of the thermal properties of Cu: Performance of the LDA and GGA 1-gen-2002 de Gironcoli, S. +
Ab initio calculations for the beta-tin diamond transition in silicon: Comparing theories with experiments 1-gen-2011 Sorella, SandroDal Corso, Andrea +
Ab initio calculations of the electronic and optical properties of group IV semiconductor nanostructures embedded in different matrices 1-gen-2015 Guerra, Roberto +
Ab initio complex band structure of conjugated polymers: Effects of hydrid density functional theory and GW schemes 1-gen-2012 Bussi, G. +
Ab initio lattice dynamics of diamond 1-gen-1993 Giannozzi, P.Baroni, S. +
Ab initio lattice dynamics of MgSiO3 perovskite at high pressure 1-gen-2000 de Gironcoli, S.Baroni, S. +
Ab initio molecular dynamics of water by quantum Monte Carlo 31-ott-2014 Luo, Ye
Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo 1-gen-2015 Zen, AndreaLuo, YeMazzola, GuglielmoGuidoni, LeonardoSorella, Sandro
Ab initio molecular dynamics simulations of biologically relevant systems 1-gen-2005 MAGISTRATO, ALESSANDRA +
Ab initio molecular dynamics studies on HIV-1 protease 27-ott-2000 -
Ab initio molecular dynamics with noisy forces: Validating the quantum Monte Carlo approach with benchmark calculations of molecular vibrational properties 1-gen-2014 Sorella, Sandro +
Ab initio molecular dynamics with quantum Monte Carlo 1-gen-2015 Luo, YeSorella, Sandro
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 Simulation of Heat Transport in Silica Glass 25-ott-2018 Ercole, Loris
Mostrati risultati da 118 a 137 di 13.524
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