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.

Dr. Maren Podewitz

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


5 days ago
Amazing Mn chemistry by @Kirchner_Lab @tu_wien https://t.co/mCzZtE1bHc
PodewitzLab photo
Karl Kirchner @Kirchner_Lab
Mn(I) alkyl complexes – the next chapter. Very proud to present our new manganese catalyzed reaction from @Kirchner_Lab is out @J_A_C_S. Manganese-Catalyzed Dehydrogenative Silylation of Alkenes Following two Parallel Inner-Sphere Pathways https://t.co/9k61nHHahD. https://t.co/z6STf7cxir


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.