Sfoglia per SSD
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 molecular dynamics simulation of liquid water by quantum Monte Carlo
2015-01-01 Zen, Andrea; Luo, Ye; Mazzola, Guglielmo; Guidoni, Leonardo; Sorella, Sandro
Ab initio molecular dynamics with quantum Monte Carlo
2015-01-01 Luo, Ye; Sorella, Sandro
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 simulation of photoemission spectroscopy in solids: Plane-wave pseudopotential approach with applications to normal-emission spectra of Cu(001) and Cu(111)
2008-01-01 Stojic, N.; Dal Corso, A.; Zhou, B.; Baroni, S.
Ab initio simulation of Si-doped GaAs(110) cross-sectional surfaces
2006-01-01 Duan, X.; Peressi, M.; Baroni, S.
Ab initio studies of targets for pharmaceutical intervention
2001-10-25 Sulpizi, Marialore
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 electron energy loss spectra of bulk bismuth up to 100 eV
2017-01-01 Timrov, Iurii; Markov, Maxime; Gorni, Tommaso; Raynaud, Michèle; Motornyi, Oleksandr; Gebauer, Ralph; Baroni, Stefano; Vast, Nathalie
Ab initio study of phonons in wurtzite AlxGa1-xN alloys
2000-01-01 Bungaro, C.; de Gironcoli, S.
Ab initio study of transport parameters in polymer crystals
2004-01-01 Ferretti, A.; Ruini, A.; Bussi, G.; Molinari, E.; Caldas, M. J.
Ab initio thermodynamic properties of iridium: A high-pressure and high-temperature study
2024-01-01 Thakur, Balaram; Gong, Xuejun; Dal Corso, Andrea
Ab- initio molecular dynamics with Parrinello-Rahman deformable cell.
1992-11-01
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 Characterization of a Novel Photocathode for Water Splitting: Bulk and Surface Properties of CuFeO2
2020-09-30 Ferri, Matteo
Ab-initio dynamical properties of the Be(0001) surface
1998-01-01 Lazzeri, M.; de Gironcoli, S.
Ab-initio phonon dispersions of transition and noble metals: effects of the exchange and correlation functional
2013-01-01 Dal Corso, Andrea
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