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  • Technische Universität Braunschweig
  • Organisation
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  • Physical and Theoretical Chemistry
  • Computational Materials Design
  • Team
Logo Institut für Physikalische und Theoretische Chemie der TU Braunschweig
  • Computational Materials Design
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Team

Simone Lecher (Administration)
Room 210
(+49 531 391) 5325
s.lecher(at)tu-braunschweig.de

Address
Technische Universitaet Braunschweig
Institute of Physical and Theoretical Chemistry
Gauss Str 17
38106 Braunschweig
Germany

Jonny Proppe

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.

Prof. Dr. Jonny Proppe
Room 201
(+49 531 391) 5325 (Simone Lecher)
j.proppe(at)tu-braunschweig.de
Curriculum Vitae

Address
Technische Universitaet Braunschweig
Institute of Physical and Theoretical Chemistry
Gauss Str 17
38106 Braunschweig
Germany

Maike Vahl

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.

Maike Eckhoff
Room 309
(+49 531 391) 5329
m.vahl(at)tu-braunschweig.de

Address
Technische Universitaet Braunschweig
Institute of Physical and Theoretical Chemistry
Gauss Str 17
38106 Braunschweig
Germany

Kerrin Janßen

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.

Kerrin Janssen
Room 307b
(+49 531 391) 5346
kerrin.janssen(at)tu-braunschweig.de

Address
Technische Universitaet Braunschweig
Institute of Physical and Theoretical Chemistry
Gauss Str 17
38106 Braunschweig
Germany

Liza Surzhikova

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.

Liza Surzhikova
Room 307b
(+49 531 391) 5346
e.surzhikova(at)tu-braunschweig.de

Address
Technische Universitaet Braunschweig
Institute of Physical and Theoretical Chemistry
Gauss Str 17
38106 Braunschweig
Germany

Kerstin Bublitz

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".

Kerstin Bublitz
Room 208
5348
k.bublitz(at)tu-braunschweig.de

Address
Technische Universitaet Braunschweig
Institute of Physical and Theoretical Chemistry
Gauss Str 17
38106 Braunschweig
Germany

Former members & visitors

  • Tim Jörg Schulze, internship and bachelor thesis, 10/2022–02/2023 (thesis title: "Development of an Automated Structure Generator for High-Throughput Studies of CO2 Utilization")
  • Maike Mücke (U Göttingen, Germany), external internship, 05/2022–09/2022
  • Rene Rahrt (U Göttingen, Germany), external internship, 11/2021–12/2021
  • Johannes Diedrich (U Göttingen, Germany), student assistant and external internship, 10/2021–12/2022
Photo credits on this page

Research Groups

Bauerecker Group
Hohm Group 
Jacob Group
Maul Group
Proppe Group
Tschierlei Group 
Walla Group

Associated Groups
Muñoz Group (GRS)

Emeriti
Becker Group
Gericke Group

Service

Institute
Workshop
School lab (German)
Agnes Pockels laboratory
Laser safety
Emergency numbers

 

Institute

Institute Director
Executive Board
Staff
Institutional Regulations (German)
 

 

Contact

Technische Universität Braunschweig
Institute of Physical und Theoretical Chemistry

Gaußstraße 17
38106 Braunschweig
P. O. Box 3329, 38023 Braunschweig
Germany
Phone +49 (531) 391-7383

Campusplan

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