Barbara Kirchner
  • Mulliken Center for Theoretical Chemistry (MCTC)
  • TRA Matter
  • Gesellschaft Deutscher Chemiker
  • American Chemical Society
  • (Ab Initio) Molecular Dynamics
  • Quantum cluster equilibrium model
  • Spectroscopy
  • Solvents and solvent effects
  • Ionic Liquids
  • Theoretical Chemistry
The Kirchner group models large and complex systems involving mainly liquids and their interfaces with a broad range of applications in f.e. energy devices or in finding sustainable answers to chemical solvent problems. This is tackled from different theoretical methods chosen and optimized to model natural processes as accurately as possible at the molecular level. The focus is on the quantum cluster equilibrium method, ab initio and traditional molecular dynamics simulations, and the development of tools for analyzing trajectories.
Barbara Kirchner
Prof. Dr. Barbara Kirchner

B6 1.007

Beringstr. 4+6

53115 Bonn

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