Theoretical Chemistry in Marburg
Prof. Dr. Gernot Frenking
The main research area of the Frenking-Group is the application of theoretical methods for studying structure, reactivity, physical properties and bonding situation of molecules, particularly transition metal compounds. We are using quantum mechanical ab-initio as well as density functional methods in conjunction with effective core potentials for the heavy atoms.
Jun.-Prof. Dr. Guido Germano
Classical molecular dynamics and Monte Carlo computer of liquids, especially mesophases, performed on massively parallel architectures; theory of soft condensed matter; statistical mechanics; stochastic processes; complex systems.