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
Finally accepted. Check out another great collab with @BioInorgani @IvanCas68860420 @arman_chem on supramolecular catalysis and their modelling #compchem #calixarene https://t.co/BK4bHbrFT9
My colleague Prof. Carmen Herrmann @unihh and I @tuBraunschweig are inviting applications for two PhD positions on "data-driven design of nanostructured systems": https://t.co/EXcwtmG7yz. This is a @dfg_public-funded collaboration! #compchem #MachineLearning #DataScience
@DielmannGroup @BASF_DE @MuellerChem @TeichertLab Congratulations, Philipp!
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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