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.

Dr. Maren Podewitz

Dedicated scientist, enthusiastic teacher, and yogi at heart with a passion for travel, outdoor sports, and catalysis.
Most Recent


My colleague Prof. Carmen Herrmann @unihh and I @tuBraunschweig are inviting applications for two PhD positions on "data-driven design of nanostructured systems": This is a @dfg_public-funded collaboration! #compchem #MachineLearning #DataScience
Talking about local enthalpy and entropy. 😊


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.