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
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Dr. Maren Podewitz

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

Maren Podewitz · 4 days ago
@PodewitzLab
This ⬇️⬇️⬇️ https://t.co/fAi7d0X4yS
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PodewitzLab photo
Nature Reviews Chemistry@NatRevChem
Mentoring is more important than ever

https://t.co/FHm7j98kz0

A Comment article by Jennifer M. Heemstra & Neil K. Garg

@MentoringFirst @GargLab @uclachem @jenheemstra @heemstralab @WashUChem @WUSTL @WUSTLArtSci https://t.co/I7XB9MxDxd
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In reply toJosé Monroy
@JR_MonroyG @arman_chem
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Maren Podewitz · 4 days ago
@PodewitzLab
Thank you for featuring is @Wiley_Chemistry! Great transatlantic team work @BioInorgani @IvanCas68860420! https://t.co/ufVFpLvVh8
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PodewitzLab photo
Wiley Chemistry@Wiley_Chemistry
From @ChemCatChem : "Encapsulation Enhances the Catalytic Activity of C-N Coupling: Reaction Mechanism of a Cu(I)/Calix[8]arene Supramolecular Catalyst."

🔗: https://t.co/RCI6EFw2SZ

@IvanCas68860420, Maren Podewitz, and co-workers ( @PodewitzLab, @tu_wien, @BioInorgani) https://t.co/K7JvalbqfG
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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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