We are a theoretical and computational chemistry group, with a focus on quantum mechanics (QM). The common theme of our research is the interaction of molecules and external fields in condensed phase. This includes the simulation of UV/Vis absorption, fluorescence spectra, optical rotation, and electronic circular dichroism spectra of molecules in solution, the evaluation of electron transfer couplings from chromophores to organic crystals, catalysis studies on surfaces and in zeolites. In order to study these phenomena, we develop quantum chemistry models and methods based on a combination of density functional and coupled cluster theory. However, we are not only concerned with methods development, as application of these methods to real chemical problems and direct interaction with experimental groups play a fundamental role in our research.
Please browse through our website for details about our research projects and our group, and feel free to contact us for more information.