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.
- 47+ Publications
- March 2022
Most Recent
15 minutes ago
@ruben_laplaza @4 The printed and the online schedule did not match, unfortunately...
@ruben_laplaza @4 The printed and the online schedule did not match, unfortunately...
Overview
Research
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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