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Ab initio calculation of the low-frequency Raman cross section in silicon
1986-01-01 Baroni, S.; Resta, R.
Ab initio calculation of the macroscopic dielectric constant in silicon
1986-01-01 Baroni, S.; Resta, R.
Ab initio calculations of the electronic and optical properties of group IV semiconductor nanostructures embedded in different matrices
2015-01-01 Guerra, Roberto; Ossicini, Stefano
Ab initio lattice dynamics of diamond
1993-01-01 Pavone, P.; Karch, K.; Schütt, O.; Strauch, D.; Windl, W.; Giannozzi, P.; Baroni, S.
Ab initio molecular dynamics of water by quantum Monte Carlo
2014-10-31 Luo, Ye
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 simulations of biologically relevant systems
2005-01-01 Magistrato, Alessandra; Carloni, P.
Ab initio molecular dynamics with quantum Monte Carlo
2015-01-01 Luo, Ye; Sorella, Sandro
Ab initio quasi-harmonic thermoelasticity of molybdenum at high temperature and pressure
2024-01-01 Gong, X; Dal Corso, A
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 Heat Transport in Silica Glass
2018-10-25 Ercole, Loris
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 ternary sigma phase diagram: the Cr-Mo-Re system
2010-01-01 Crivello, J. -C.; Palumbo, M.; Abe, T.; Joubert, J. -M.
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 thermoelasticity of crystals at extremes
2024-11-29 Gong, Xuejun
Ab-initio calculations of luminescence and optical gain properties in silicon nanostructures
2009-01-01 Degoli, E.; Guerra, R.; Iori, F.; Magri, R.; Marri, I.; Pulci, O.; Bisi, O.; Ossicini, S.
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 Be(0001) surface.
1997-10-01 Lazzeri, Michele
Ab-initio theory of grain-boundary segregation in alpha-alumina: Energetics, atomistic and electronic structures
2003-01-01 Fabris, Stefano; Elsässer, C.
Abelianization and sequential confinement in 2 + 1 dimensions
2017-01-01 Benvenuti, Sergio; Giacomelli, Simone
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