Dynamic processes in materials for energy conversion and storage

Modern material combinations, which we use for converting, storing and saving energy, exploit the synergistic effects of multi-component systems to achieve functionalities beyond those of the single constituents alone. Steps towards a rational design of such material systems have increasingly inspired research activities both from experiment and theory. With the considerable increase of computational resources, simulations have successfully started to bridge the gap between idealized, rather specific theoretical concepts and experimental realization for system length and time scales, which reflect specific physical processes involved in energy saving, conversion, and storage. I will present examples from recent work which span the range the range from nano-scale battery effects in thin multifunctional oxide films of spongy structures by spinodal decomposition of silicon monoxide for storage and conversion to formation and stability of anti-wear coatings for energy efficient applications. Those studies illustrate recent developments to arrive at a truly scale- adapted modeling of energy materials.