Research Group Computational Chemistry

These methods combine different approaches to treat a chemical problem in way that is tailored to that question. The König group has a special focus on the calculation of spectroscopic properties of biomolecular systems. This concerns in particular the application and development of quantum-chemical multi-scale approaches to UV/Vis and vibrational spectroscopies. New developments are required to meet the demands of question modern chemistry poses. Current projects include unraveling the function fluorescence biomarkers for Alzheimer’s disease and the development of multi-scale approaches to vibrational structure theory for the calculation of vibrational spectra of complex systems.