Our research deals with theoretical and computational aspects of molecular and materials sciences with particular emphasis on ab-initio and DFT calculations, quantum molecular dynamics, density matrix theory, and classical molecular dynamics. It includes photoinduced phenomena in the gas phase, clusters, and at solid or metallic surfaces. We use quantum and statistical mechanics, mathematical, and computational methods to describe time-dependent phenomena such as femtosecond dynamics, photochemistry, and quantum control in both simple and complex molecular systems.
