Vera Krewald

Prof. Dr. Vera Krewald is a Professor for Quantum Chemistry at Technische Universität Darmstadt, Department of Chemistry. She leads a research group focused on theoretical and quantum chemistry approaches to understand electronic structures and properties of inorganic and transition metal complexes. Her work bridges computational methods with experimental spectroscopy to explore magnetic interactions, electron transfer processes, and catalytic mechanisms.

• Professor for Quantum Chemistry (W3) at TU Darmstadt (since 11/2023)
• Professor for Theoretical Chemistry (W2, tenure track) at TU Darmstadt (12/2018-10/2023)
• Research Group Leader at University of Bath (01/2017-11/2018)

Prof. Krewald's research focuses on applying quantum chemistry methods to understand the electronic structure and functioning of inorganic complexes. Her group makes predictions about spectroscopic, magnetic, and other measurable properties of transition metal complexes, with particular interest in systems that exhibit unexpected properties, magnetic coupling, challenging molecular transformations, or promising catalytic activity. Key research areas include electron transfer processes, photophysics and photochemistry of transition metal complexes, nitrogen activation and splitting, oxygen reduction catalysis, and the development of theoretical methods like the Angular Overlap Model.

Analysis of Prof. Krewald's recent publications reveals a strong focus on iron-based catalysis, particularly for energy-related applications like the oxygen reduction reaction in fuel cells. Her work frequently combines computational quantum chemistry with experimental spectroscopy, especially Mössbauer spectroscopy, to characterize active sites in catalysts. There's also significant emphasis on electron transfer processes, photochemical activation of small molecules like dinitrogen, and the development of computational tools for analyzing magnetic properties and metal-ligand bonding.

• 2022: Dozentenpreis from the chemical industry fund (Fonds der Chemischen Industrie)
• 2021: Award from the Dr. Hans Messer Stiftung for early career researchers
• 2021: ADUC Award from the German association of university professors in chemistry
• 2014: Otto Hahn Medal of the Max-Planck-Society
• 2013: Participant at 63rd Lindau Nobel Laureate Meeting
• 2008-2013: German National Academic Foundation fellowship

Prof. Krewald leads a research group with 2 postdocs, 6 PhD candidates, and several B.Sc./M.Sc. students. Her group has secured funding from multiple sources including the DFG, Leverhulme Trust, Merck'sche Gesellschaft für Kunst und Wissenschaft e.V., NHR Verein e.V., and Deutsche Bundesstiftung Umwelt. She serves as vice-speaker of SFB 1487 "Iron, upgraded!" (2022-2025), demonstrating her leadership in coordinated research efforts. Her group actively collaborates with experimental researchers to elucidate reaction mechanisms and identify catalytically active species.

The Krewald Research Group operates within the Department of Chemistry at TU Darmstadt, with strong connections to collaborative research centers including SFB 1487 "Iron, reimagined!", SFB 1633 "Pushing Electrons with Protons", and SPP 2491 "Interactive Switching of Spin States". The group is also involved in the Quantum Bio-Inorganic Chemistry Society, which Prof. Krewald co-founded and serves as Secretary General. Their work combines high-level quantum chemical calculations with experimental validation to address fundamental questions in inorganic chemistry and catalysis.