Opalka Group

Research in the Opalka group is centered around energy conversion processes from light and electricity into chemical energy. We use theoretical and computational techniques to model, understand and predict properties and mechanisms of energy conversion in molecules and condensed matter. Our research programme covers fundamental aspects such as the relaxation of electronic to vibrational energy in photochemistry as well as applied research on novel materials for photo- and electrochemical applications. The group is responsible for the research activities of the Chair of Theoretical Chemistry in the multidisciplinary Kopernikus/Power-to-X research consortium. Further responsibilities are the coordination of outreach activities, the design and implementation of the computer game "Crystal Math" and the "Theory Software Stack", an automated build and deployment system for complex simulation software. The group regularly participates in high performance computing projects.

Research Focus Areas
Electrocatalysis at transition metal oxide surfaces
Nanoparticle catalysts
Photocatalytic water-splitting with carbon nitride materials
Nonadiabatic processes & multi-sheeted molecular potential-energy surfaces