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, born 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 and stability 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. Her research focus is on data-efficient algorithms (active learning) for applications in chemistry.
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 program) at TU Braunschweig. Since finishing her bachelor thesis on "Quantum chemical classification of C-nucleophiles with respect to rapid and stable CO2 adduct formation" in our group in September 2023, she supports our team's research and teaching as a student assistant.
Address
Technische Universitaet Braunschweig
Institute of Physical and Theoretical Chemistry
Gauss Str 17
38106 Braunschweig
Germany
Philipp Held (bachelor student & student assistant)
Philipp is studying Chemistry (bachelor program) at TU Braunschweig. Since October 2023, he supports our team's research as a student assistant. Philipp is working on his bachelor thesis since April 2024 (title: "Optimizing Molecular Representations for Enhanced Machine-Learning Predictions in 1,3-Azole Chemistry").
Address
Technische Universitaet Braunschweig
Institute of Physical and Theoretical Chemistry
Gauss Str 17
38106 Braunschweig
Germany
Zain Asani (master student)
Zain is studying Data Science (master program) at TU Braunschweig. He obtained his bachelor degree in computer science at the Ghulam Ishaq Khan Institute of Engineering Sciences and Technology (GIKI) in Pakistan. Since May 2024, Zain is working on his master thesis in our group (Title: "Performance estimation of pool-based active learning algorithms for regression problems").
Address
Technische Universitaet Braunschweig
Institute of Physical and Theoretical Chemistry
Gauss Str 17
38106 Braunschweig
Germany
Johannes Diedrich (student assistant)
Johannes studies Chemistry (master's program) at Georg-August University, Göttingen. Jonny supervised his Bachelor's thesis on machine-learned density functionals. Since April 2024, Johannes has once again been supporting our team in the areas of research and software development.
Address
Technische Universitaet Braunschweig
Institute of Physical and Theoretical Chemistry
Gaussstrasse 17
38106 Braunschweig
Germany
Lucy Warner (visiting student)
Lucy is studying Chemistry for her Bachelors at the University of Reading, UK. Since May 2024, Lucy has been carrying out a research internship (DAAD RISE).
Address
Technische Universitaet Braunschweig
Institute of Physical and Theoretical Chemistry
Gaussstrasse 17
38106 Braunschweig
Germany