Research interests of the Marian group
Central themes of the current research activities of the Marian group focus on molecular excited-state processes. In the development and application of quantum chemical methods, we place particular emphasis on multi-reference methods and spin-forbidden processes as they are of crucial importance for understanding and hence optimizing light-responsive molecules. Because of its ecological and economic implications, efficient conversion of electric energy to light in organic light-emitting diodes (OLEDs) or of solar energy to electricity in photovoltaic cells is a topical issue of relevance to many disciplines. Projects in other fields, such as force-field optimization of inorganic solids as well as optimization of scoring functions for ligand-protein docking, are presently not pursued.
- Vibrational contributions to rate constants and vibronic Interactions (VIBES)