Thomas Teusch

Thomas Teusch
Postdoc
Involved in projects
VIKING

Universität Oldenburg
Institut für Physik
Carl-von-Ossietzky-Str. 9-11
26129 Oldenburg, Germany

Email: thomas.teusch@uni-oldenburg.de

 

 

 

 

Development

I take part in development of the scandinaVIan KIt for nanoscale modelinG (VIKING), which is a software toolkit tailored for addressing biomedical research problems using multiscale computational modeling techniques.

 

Research interests

  • Periodic slab calculations on the adsorption of water on WO3(001) (DFT)
  • Construction of a high-dimensional potential energy surface for ground and excited states (CASSCF, CASPT2/NEVPT2)
  • Neural Networks and Genetic Algorithms to fit high-dimensional potential energy surfaces (PyTorch, keras, scikit-learn)
  • Wavepacket-based Quantum Dynamics
  • Development of tools for quantum chemical modeling

 

Education:

2011-2014: Bachelor in Chemistry at University of Oldenburg

2014-2016: Masters in Chemistry at University of Oldenburg

2017-2020: Ph.D. in Theoretical Chemistry at University of Oldenburg (Member of RTG-QM3)

since 2021: Postdoc at the Quantum Biology and Computational Physics research group at University of Oldenburg

 

Publications

Design of SARS-CoV-2 Main Protease Inhibitors Using Artificial Intelligence and Molecular Dynamic Simulations, Lars Elend, Luise Jacobsen, Tim Cofala, Jonas Prellberg, Thomas Teusch, Oliver Kramer, Ilia A. Solov'yov, Molecules, 27, 4020-(1-25), (2022)
Quantum Effects in Biological Systems, Anders Frederiksen, Thomas Teusch, Ilia A. Solov'yov, in: Dynamics of Systems on the Nanoscale, edited by: Ilia A. Solov'yov and Alexey V. Verkhovtsev and Andrei V. Korol and Andrey V. Solov'yov, 201-248, Springer, (2022)
Photodesorption mechanism of water on WO3(001) – a combined embedded cluster, computational intelligence and wave packet approach, Thomas Teusch, Thorsten Klüner, Physical Chemistry - Chemical Physics, 22, 19267-19274, (2020)
Understanding the Water Splitting Mechanism on WO3(001)-A Theoretical Approach, Thomas Teusch, Thorsten Klüner, Journal of Physical Chemistry C, 123, 28233-28240, (2019)