The members of the group have focused their research interest from their doctoral and postdoctoral periods to the study of molecular systems and nanostructures using computational simulation techniques. They have analyzed a great variety of systems ranging from small molecules to bulk solids including intermediate structures such as atomic clusters. The research they do is based on the physical description of this kind of systems, analyzing their structural, electronic and dynamical properties with the aim of proposing possible technological applications. The simulation tools are also diverse. They have experience in the use of simple semiempirical potentials for the description of the interactions, of more accurate and time-consuming ab initio models as well as of intermediate approaches like tight-binding.
Materials simulation (GSM)
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