.. to the website of the theoretical and computational chemistry group.
Our key research area is ...
... the use of multiscale simulation methods to study biomolecular systems and biological and biomimetic materials. We develop hierarchical simulation approaches that systematically link simulations at several levels of resolution, for example combining an all-atom and a coarse-grained description.
With these models we want to address problems that require both accounting for chemically specific interactions and processes on the high resolution level as well as the time and length scales that can only be achieved on the coarse-grained (mesoscopic) level.
Typical systems and processes we are interested in are biomolecular aggregation and structure formation in biological and biomimetic materials.
Development of coarse grained simulation models to study peptide aggregation
Biological and bio-inspired materials
Interactions at organic/mineral interfaces
Interactions of (bio)polymers with electrolyte solutions
Multiscale simulation of protein/lipid membrane systems
Multiscale simulation of viral capsids