Theory and Simulation of Molecular Interactions (INTERMOL)

Our group steadily collaborates since 2005. We are currently involved in project funded by A.E.I., as well as we participate in an internationational COST action. We also maintain assiduous collaborations with Mexico (R. Hernández-Lamoneda), Italy (F. Pirani and M. Mella) and Austria (P. Scheier). Our work focuses on: (i) development of intermolecular potential energy surfaces -specially in weak interaction systems - for studying different types of aggregation of atoms and molecules and their interactions with extended systems (mainly graphene type); (ii) simulation of spectroscopic and dynamical properties of molecular systems, as well as diffraction, and properties in layered materials, which are useful for different fields (astrophysics, combustion, atmospheres, industry, bio ...), even in extreme or experimentally difficult conditions such as high pressures or low temperatures. We always intend to work in collaboration with other groups, specially experimental one