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.
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7 days ago
@A_Aspuru_Guzik Thank you for raising your voice and publishing this excellent piece!
7 days ago
An excellent piece by outstanding scientist addressing some misconceptions about "cancel culture", "freedom of speech", and "science and society". https://t.co/lvENWOqIjl
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.