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Room:  W03 0-032

Tel.:  +49 441 798 3963

Address: 
Department of Chemistry
Carl von Ossietzky Universität
Postfach 2503
D-26111 Oldenburg

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

 

Scientific Papers:

Master thesis (2017)

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

Bachelor thesis (2014)

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

 

 

 

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