Biocomputational Chemistry

Research profile

Prof. Matthias Bickelhaupt

Life sciences and sustainability are the context in which research programmes are developed in the Biocomputational Chemistry research group. The group consists of Matthias Bickelhaupt, professor of theoretical organic chemistry, Célia Fonseca Guerra, professor of supramolecular quantum biochemistry, Trevor Hamlin, assistant professor of theoretical organic chemistry, and 20 to 25 scientists, including post-docs, PhD students, Master’s students and visiting scientists.

The Biocomputational Chemistry research group is interested in developing chemical theories and methods for rationally designing molecules, nanostructures and materials as well as chemical processes toward these compounds. The research is based on quantum mechanics and advanced computer simulations.