Free energy landscape for adsorption of gases on metal-organic frameworks (MOFs) a...
Study of the structural and energetic properties of nanoligas formed by CeO2-ZrO2 ...
CINE: computational materials design based on atomistic simulations, meso-scale, m...
Graphene modified with RuO2 and/or TiO2: synthesis, characterization and aplicatio...
Computational nanoscience for energy materials: hydrigen storage and production an...
Investigation of plasmon enhanced ethanol electro-oxidation by AuRh catalyst: in s...
Ab initio molecular dynamics simulation of plastic crystal of protic ionic liquids