Ab initio study of methanol, ethanol and glycerol adsorption on defected platinum...

Realistic g-factor and k.p parameters in III-V semiconductors and prediction of semiconductors...

Ab Initio Investigation of Oxide Clusters, Transition-metals and Zirconia Nano-interfaces,...

Study of adsorption of hydroxyl, water and ethanol on 13-atom transition-metal c...

Ab initio study of structural, energetic, and electronic properties of two-dimensional...

Study of the structural, energetic, electronic and optical properties of quaternary...

Ab initio Investigation of The Formation Mechanisms of Transition-Metal Dichalcogenides...

Implementation of the Parallel Tempering Monte Carlo method to the study of thermodynamic...

Theoretical study of the structural, electronic and reactivity properties of transition-metal...

First principles studies of water and ethanol adsorption on transition metal alloys...