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
Sorry @KretschmerLab did not find your Twitter handle when writing this tweet.
Selfie with Karl @TUChemnitz Thank you for inviting me to my 1st #GDCh talk, @BreugstLab! I had a fantastic time and many exciting discussions with @TeichertLab and Robert Kretschmer. #compchem #chemistry https://t.co/uFMH7vcwRB 
Trip to Vienna? Why not come to our conference. Check who will be there. #inorgchem #compchem ⬇️⬇️⬇️ https://t.co/X4R6ylDkcM
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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