Dr. Daniel Berger
Dynamics of Complex Fluids and Interfaces
AddressForschungszentrum Jülich GmbH
Fürther Straße 248
I am working on multiscale simulation techniques for heterogeneous and homogeneous catalysis, bridging all relevant length and time scales. This involves
- solving the electronic structure to describe the chemical reaction mechanisms and energetics,
- sampling the solvent induced contributions to the free energy by means of molecular dynamics,
- describing the macroscopic mass and energy transport on the level of hydrodynamics.
My expertise is density-functional theory and wave-function based quantum chemistry, molecular dynamics, and thermal multicomponent Lattice-Boltzmann simulations.