Atomistic Computer Simulations are together with theory and experiment the
third foundation of modern research. Simulations become increasingly important
as a tool to investigate complex chemical and physical systems. The technique
is well suited to study transport processes and chemical reactions near
interfaces and in porous materials, in particular materials with free and bound charge
carriers. Such materials - nanostructured or disorderd - are indispensible
building blocks of modern energy tecnology such as fuel cell and battery
technology. The group performs research to develop and apply computer
simulation methods to such materials and supports the Center for Computational Sciences and Simulation (CCSS) of the University Duisburg-Essen.
