My experience focusses on photocatalytic surface reactions
of small molecules, solid state physics, and electronic excitations using highly accurate
ab initio quantum chemical methods.
In addition, my current research is dedicated to processes of spin dynamics and the
description of spin relaxation in order to study the behaviour of radicals in
protein structures.
I am also involved in the development of the
VIKING suite (scandinaVian KIT for nanoscale modelinG), a software toolkit,
tailored to address biomedical research problems using
multiscale computational modelling techniques.

Research interests

• Solid state physics
• Light-matter interaction
• Charge transfer processes
• Absorption of small molecules on surfaces
• Density functional theory (DFT, TD-DFT)
• Multi-reference methods (CASSCF, NEVPT2, MR-CI)
• Spin dynamics
• Spin relaxation (Redfield theory)
• NMR and EPR spectroscopy
• Protein structures
• Biochemical reactions