Matthias Bickelhaupt

About me

The reasons why I find collaboration within ARC CBBC interesting are twofold. Firstly, I am thrilled by the idea that my fundamental theories and methods can make a direct contribution to developments in industry and society. Secondly, I know from experience that the associated practical problems often bear challenging fundamental questions that trigger my curiosity.

About my research

I find it difficult to single out one thing in my scientific career of which I am most proud. But I am certainly proud of my developments and successes in the analysis and theory of the chemical bond and methods for rationally designing molecules, nano-structures and materials as well as chemical processes toward these compounds, based on quantum mechanics and advanced computer simulations. My models create causal relationships between the electronic structure of molecules and, for example, their reactivity, in such a way that the holy grail of chemistry comes into reach: Rational Design of target molecules and reactions.