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Room:  W03 0-037

Tel.:  +49 441 798 3892

Address: 
Postfach 76
Institut für Chemie
Carl von Ossietzky Universität
D-26111 Oldenburg

Current Research

Photocatalytical Water Splitting on WO3(001)

  • 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, scikit-learn)
  • Wavepacket-based Quantum Dynamics

See also RTG QM3

Press releases about this person

Publications

Master thesis (2016)

Title:
Periodical ab initio und DFT studies on the adsorption of SO2-species on the rutile (110) surface

Bachelor thesis (2014)

Titel:
Ab initio studies of the CO-adsorption on TiO2-anatase: Construction of a high-dimensional potential energy surface

 

Webfbmastei5kjr Thdh7kieordjcetischyzzfe Ctphemien1 (robertz0ks.roehscqce@uols810y.detpd) (Changed: 2020-06-10)