Interdisciplinary Centre for Advanced Materials Simulations (ICAMS), Ruhr Universität Bochum, Bochum, Germany
Jülich Supercomputing Centre (JSC), Forschungszentrum Jülich, Jülich, Germany and Interdisciplinary Centre for Advanced Materials Simulations (ICAMS), Ruhr Universität Bochum, Bochum, Germany