Junior Group Leader, 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.
- 46+ Publications
- October 2021
Most Recent
5 days ago
Something different today: If you are into #cryptocurrency (spoiler: I am not!), have you considered buying #NFTarts and supporting artists? Check out @AndyStonePhoto on #opensea! #compchem #spouse #AcademicChatter 😉 https://t.co/safIuzHUJM
Something different today: If you are into #cryptocurrency (spoiler: I am not!), have you considered buying #NFTarts and supporting artists? Check out @AndyStonePhoto on #opensea! #compchem #spouse #AcademicChatter 😉 https://t.co/safIuzHUJM
7 days ago
@ChristofJaeger We also say "Der will mir was vom Pferd erzählen", at least in Northern Germany we say that...
@ChristofJaeger We also say "Der will mir was vom Pferd erzählen", at least in Northern Germany we say that...
7 days ago
@Marcel_Swart @houk1000 @ChemProfCramer Excellent scientists! Diversity could be improved though...
@Marcel_Swart @houk1000 @ChemProfCramer Excellent scientists! Diversity could be improved though...
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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