Address
Technische Universitaet Braunschweig
Institute of Physical and Theoretical Chemistry
Gauss Str 17
38106 Braunschweig
Germany
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.
Address
Technische Universitaet Braunschweig
Institute of Physical and Theoretical Chemistry
Gauss Str 17
38106 Braunschweig
Germany
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.
Address
Technische Universitaet Braunschweig
Institute of Physical and Theoretical Chemistry
Gauss Str 17
38106 Braunschweig
Germany
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.
Address
Technische Universitaet Braunschweig
Institute of Physical and Theoretical Chemistry
Gauss Str 17
38106 Braunschweig
Germany
Elizaveta (Liza) Surzhikova (PhD candidate)
Liza studied computer science at the University of Leipzig (B.Sc.) and at TU Braunschweig (M.Sc.). She wrote her master thesis "Reconstructing Backdoors of Deployed Neural Networks" under the supervision of Prof. Martin Johns at the Institute for Application Security. She is a PhD student in our team since October 2023. In her research, she investigates whether the performance of an Active Learning approach can be predicted based on an initial data distribution.
Address
Technische Universitaet Braunschweig
Institute of Physical and Theoretical Chemistry
Gauss Str 17
38106 Braunschweig
Germany
Kerstin Bublitz (student assistant)
Kerstin is studying Chemistry (master study) at TU Braunschweig. Since finishing her bachelor thesis on "Quantum chemical classification of C-nucleophiles with respect to rapid and stable CO2 adduct formation" under the supervision of Jonny in September 2023 she supports our team as a student assistant.
Address
Technische Universitaet Braunschweig
Institute of Physical and Theoretical Chemistry
Gauss Str 17
38106 Braunschweig
Germany
Philipp Held (student assistant)
Philipp is studying Chemistry (bachelor study) at TU Braunschweig. Since October 2023 he supports our team as a student assistant.
Address
Technische Universitaet Braunschweig
Institute of Physical and Theoretical Chemistry
Gauss Str 17
38106 Braunschweig
Germany
Moritz Wolff (bachelor student)
Moritz is an undergraduate student of Chemistry at TU Braunschweig. Since January 2024, he has been writing a bachelor’s thesis entitled A Major Revision of Mayr’s Database of Reactivity Parameters.
Address
Technische Universitaet Braunschweig
Institute of Physical and Theoretical Chemistry
Gauss Str 17
38106 Braunschweig
Germany