The development of new technologies and materials for the efficient conversion and storage of renewable energy is an essential prerequisite for the establishment of a sustainable, future energy system. Historically, developments within e.g. new battery technologies and materials have been very slow, but the rapid development of computing power combined with increased speed and accuracy of theoretical methods to describe materials on atomic scale, has made it possible to predict and design the properties of new materials in silico. Here you can see examples of how methods such as the Behavior Theory (DFT) in combination with advanced methods of synthesis and in situ characterisation have made it possible to accelerate the development of next generation of battery materials, such as Nanostructured solid electrolytes, as well as metal-sulphur and metal-air batteries with very high energy densities.