Team

Jonny Proppe (head of group)

Jonny studied Chemistry at the University of Hamburg and was on an Erasmus research leave at the University of Oslo during the master's program. For his doctorate in Theoretical Chemistry, he joined the group of Prof. Dr. Markus Reiher at ETH Zurich. He was awarded the IBM Research prize 2020 for his doctoral thesis on "Computational Systems Chemistry with Rigorous Uncertainty Quantification". After postdoctoral stays at Harvard University, the University of Toronto, and the University of Göttingen, he was appointed assistant professor of Computational Materials Design at TU Braunschweig in October 2021.

Maike Eckhoff, formerly Vahl (PhD candidate)

Maike studied Chemistry at the University of Göttingen, where she graduated under the supervision of Prof. Jörg Behler (title of her master thesis: "Development of a Neural Network Potential Including Dispersion Interactions for n-Alkanes"). She is a PhD student in our team since February 2022. Her research focuses on the real-time prediction of chemical reactivity for the design of customized reaction partners.

Kerrin Janssen (PhD candidate)

Kerrin studied Chemistry at the University of Hamburg (B.Sc.) and at TU Braunschweig (M.Sc.). She wrote her master thesis "Development of an In Silico Profiler of the Bioactivity of Small Molecules on Proteins Expressed in the Gut" under the supervision of Prof. Johannes Kirchmair at the University of Vienna. She is a PhD student in our team since August 2023. In her research, she develops models to predict the reactivity of N-heterocycles, which constitute a central motif in natural compounds and drugs.

Liza Surzhikova (student assistant)

Liza is currently writing her master thesis in computer science (title: "Reconstructing Backdoors of Deployed Neural Networks") and has been supporting our team as a student assistant in active learning since May 2023.

Kerstin Bublitz (bachelor student)

Kerstin is an undergraduate student of Chemistry at TU Braunschweig. Since June 2023, she has been writing a bachelor thesis entitled "Quantum chemical classification of C-nucleophiles with respect to rapid and stable CO2 adduct formation".