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Logo Institut für Physikalische und Theoretische Chemie der TU Braunschweig
Data-Driven Chemistry
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Data-Driven Chemistry

The Proppe Group (2025)
The Proppe Group in April 2025 (from left to right): Philipp Held, Elizaveta (Liza) Surzhikova, Kerstin Bublitz, Maike Eckhoff, Lilly Meynberg, Laura Marcon, Sophie Kortebrock, Johannes Diedrich, Jonny Proppe, Kerrin Janssen.

Welcome to the Proppe Group!

Science thrives on diverse ways of thinking. We believe that diversity—in backgrounds, identities, and life experiences—broadens perspectives and drives progress. We are committed to fostering an inclusive research environment where differences are valued and every member can develop to their full potential, both professionally and personally.

In our research, we combine computational chemistry and machine learning to better understand and predict chemical reactions and structure–property relationships of molecules. For societally relevant systems such as CO2, we specifically search for reaction partners that lead to stable products. In drug discovery, we integrate these strategies with classical methods of drug design to identify new bioactive compounds.

We are always looking for motivated students for bachelor and master theses as well as "hiwi" jobs (payed minijobs in research or teaching). Please write to me (j.proppe@tu-braunschweig.de) or contact me after a lecture or other event. We look forward to hearing from you!

+++ News +++

  • Congratulations to Maike for successfully defending her PhD thesis on April 17, 2025!!
  • We warmly welcome Lilly, who has started her Bachelor's thesis in April 2025!
  • A new publication by Maike, Kerstin, and Jonny is now available in Digital Discovery!Unveiling CO2 reactivity with data-driven methods
  • A new preprint by Maike, Liudmila, and Jonny—in collaboration with the amazing Sigman lab—is now available on ChemRxiv! Predicting the stability of base-mediated C--H carboxylation adducts using data science tools
  • A new publication by Kerrin and Jonny is now available in the Journal of Chemical Information and Modeling!Predicting and Explaining Yields with Machine Learning for Carboxylated Azoles and Beyond

Meet us @

LinkedIn

  • [15 May 2025] Jonny gives a talk ("Data-Efficient Machine Learning and Carbon Dioxide Valorization") at the Mulliken Center of Theoretical Chemistry, University of Bonn (invited by Prof. Stefan Grimme)
  • [19 May 2025] Jonny gives a talk ("From Waste to Value: CO2 as Building Block for Functional Molecules") at the Wilhelm Ostwald Institute, University of Leipzig (invited by Prof. Julia Westermayr)
  • [1–5 Jun 2025] 13th International Conference on Chemical Structures in Noordwijkerhout (NL): Kerrin, Liza, and Jonny
  • [8–11 Sep 2025] 4th Pure and Data-Driven Quantum Chemistry Retreat in Vienna (AT): Kerrin, Liza, and Jonny
  • [22–26 Sep 2025] 61st Symposium on Theoretical Chemistry in Berlin: Jonny (invited talk)

Gruppenfoto der Proppe-group Göttingen 2024 Hiking trip picture Group picture (Proppe group and Jacob group), 2023 Die AG Proppe im Juni 2023.
Photo credits on this page

Research

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Technische Universität Braunschweig
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