Theoretical Chemistry - Klüner

M.Sc. Thorben Petersen
(PhD Student)

Current Research

Theoretical studies on Photocatalytic Water Splitting

  • Modelling of oxide and nitride surfaces
  • Application of ab initio quantum chemical methods to calculate high-dimensional potential energy surfaces for ground and excited states (CASSCF, CASPT2/NEVPT2)
  • Fit of potential energy surfaces using Artificial Neural Networks
  • Wavepacket-based quantum dynamics

See also Priority Program 1613

Master thesis (2016)

High-dimensional quantum dynamical calculations on the photochemistry of water on TiO2-rutile(110)

Bachelor thesis (2014)

Photochemistry of NO on TiO2-rutile(110): Ab initio calculations of
electronically excited states






Institut für Chemie

Carl von Ossietzky Universität Oldenburg
Postfach 2503
26111 Oldenburg

Office: W03 0-032 (» Adresse und Lageplan) Phone: +49 441 798 3963