Research

Our scientific interests lie in the theory and simulation of complex molecules and systems in chemistry, biochemistry and materials science. We have a special focus on electron transfer and its macroscopic manifestation as conductivity. In addition, we are interested in the theoretical spectroscopy of biopolymers snd large molecular aggregates - as relevant to light harvesting using organic solar cells - and in the theory of networks.

We develop theoretical methods, models and simulation techniques with an emphasis on procedures that enable the simultaneous description of classical and quantum mechanical degrees of freedom or that permit scaling from the molecular to the macroscopic level. Although our background is one of theoretical chemistry and numerical methods, we cooperate and publish with scientists working in biochemistry, inorganic chemistry, pharmacology, polymer chemistry, molecular physics and theoretical physics. I am particularly happy to have triggered experimental studies in more than one instance.