In the »Human Brain Project« (HBP), which is funded by the European Commission, leading research institutions work together to better understand the human brain. For that purpose the project partners will develop new simulation methods, for example on high performance computers. The project aims to develop new therapeutic approaches for the treatment of brain diseases and new methods of High Performance Computing. Fraunhofer SCAI participates in a HBP sub-project through researchers of its Department of Virtual Material Design (VMD). In particular, they develop software, numerical algorithms and methods to realize neuroscientific simulations on high performance computers. SCAI’s researchers provide their expertise in multiscale simulation and numerical simulation for Molecular Dynamics.