Mikkelsen Group

The Mikkelsen Group uses computational chemistry to study reaction dynamics, molecular properties and atmospheric clusters related to solar energy and greenhouse gases.

Research focus

Computational Chemistry

The group uses scientific computing methods to investigate the dynamics and thermodynamics of reactions related to the exploitation of solar energy. The research also concerns linear and nonlinear molecular properties and scattering properties of atmospheric molecular clusters.

The group uses computational chemistry methods such as:

  • density functional theory
  • Møller-Plesset theory
  • coupled cluster theory

Using these methods, the group gains insight into the minimal energy structure of single molecules and investigates reaction kinetics through molecular reaction dynamics. 

Group leader

Projects

Projects in the group are within the following topics:

  • Solar batteries
    Storage of solar energy.
  • Surface plasmons
    Coherent electron oscillations that can be used to convert sunlight into electricity in thin-film solar cells.
  • Triad systems for solar cells
    Systems for use in organic photovoltaics as an alternative to silicon-based solar cells.
  • Scattering of clusters in the atmosphere
    Studies of particle clusters related to greenhouse gases.
  • Molecular electronics
    Transport of electrical current through single molecules, including as a tool to gain insight into the electronic structure of molecules in junctions.

Contact

Kurt Valentin Mikkelsen
Professor