GRK: Tailored Scale-Bridging Approaches to Computational Nanoscience
The last decades brought a massive development of simulation methods for materials science, chemistry and soft matter applications, now being efficient and accurate for the targeted application area. In this RTG we will systematically investigate problems, which are not addressable by standard tools from the quantum chemistry toolbox. The research is organized into seven projects, where five projects address scientific challenges like friction, materials aging, material design and biological function, which so far cannot be approached by single computational methods or standard multiscale approaches. The challenges are met, (i) by building teams which cover all knowledge and methods required to address scale-bridging problems, (ii) by a research program, which aims at a novel holistic, problem-driven approach to combine existing methods on the individual scales to recursive scale-bridging workflows and (iii) by training doctoral researchers, who are enabled to apply scale-bridging concepts and technical skills needed for such a problem-driven approach.