Research topic: Theoretical basis for calculating photoionization spectra
A comprehensive understanding of light induced processes in molecules requires the elucidation of the electronic and structural transformations that a photoexcited system undergoes in order to dispose of the excess energy.
In an effort to deal with some of the problems in this area we apply a range of chemical theories and computational tools. This encompasses electronic structure calculations of potential energy surfaces, the development and application of quantum and classical dynamics methods and computation of time resolved molecular spectra.
Problems of specific interests include photoinduced processes in organic and biomolecules with particular emphasis on the photophysics of peptides and nucleobases, ground and excited state proton/hydrogen transfer reactions, and uncovering the information contained in time-resolved spectra of photoinduced processes.