New Materials WG 2 Member, Charge Transfer Materials, LINXS Fellow

The experimental characterization of functional materials for sustainable energy is naturally complemented with theoretical modelling. Michael Odelius is a theoretical chemical physicist at the Department of Physics, Stockholm University, (www.su.se/profile/odelius) working with quantum chemical calculations to explore the electronic structure and chemical bonding in solar cell materials and liquid solutions, and for the interpretation of X-ray spectra. With a background in physical chemistry and molecular dynamics simulations, the influence dynamics and molecular interactions on the spectra are investigated. The group has in particular contributed to the understanding of the influence of hydrogen bonding and excited state dynamics. By combining ab initio molecular dynamics and spectrum simulation based on multi-configurational calculations, photoinduced processes in solution can be understood.