Ab initio statistical mechanics of surface adsorption and desorption: II. Nuclear quantum effects
Ab Initio Structural Energetics of Beta-Si3N4 Surfaces
Ab initio structure modeling of complex thin-film oxides: thermodynamical stability of TiC/thin-film alumina
Ab initio studies of electronic structure of defects in PbTe
Ab Initio Studies of Liquid and Amorphous Ge
Ab initio studies of phonon softening and high pressure phase transitions of alpha-quartz SiO2
Ab initio studies of structural instabilities in magnesium silicate perovskite
Ab Initio studies of the atomic structure and electronic density of states of pure and hydrogenated a-Si
Ab initio Studies of the Possible Magnetism in BN Sheet by Non-magnetic Impurities and Vacancies
Ab initio study of 2p-core level x-ray photoemission spectra in ferromagnetic transition metals
Ab initio study of a mechanically gated molecule: From weak to strong correlation
Ab initio study of atomic ordering and spin-glass transition in dilute CuMn alloys
Ab initio study of BaTiO3 and PbTiO3 surfaces in external electric fields
Ab initio study of beryllium-decorated fullerenes for hydrogen storage
Ab initio study of bilateral doping within the MoS2-NbS2 system
Ab initio study of canted magnetism of finite atomic chains at surfaces
Ab initio study of compressed Ar(H2)2: structural stability and anomalous melting
Ab initio study of Curie temperatures of diluted III-V magnetic semiconductors
Ab initio study of elastic and electronic properties of cubic thorium pnictides ThPn and Th3Pn4 (Pn = P, As, and Sb)
Ab initio study of element segregation and oxygen adsorption on PtPd and CoCr binary alloy surfaces