Assistant Professor, Theoretical
& Computational Chemistry
Welcome to the Computational Chemistry Lab
Our aim is to understand and predict structure formation and reactivity in chemistry. Therefore, we develop multi-level computational protocols using methodologies from Molecular Dynamics to (ab initio) quantum chemistry.
Our main focus is the prediction of reactivity and selectivity in catalysis and in complex molecular systems.
We develop multi-scale modelling protocols to solve chemical problems. A focus is on the elucidation of reaction mechanims and reactivity in (transition-metal) catalysis and in complex systems.
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