We apply for a prolonged NAISS Medium project storage (present storage NAISS 2023/6-358) to ensure efficient usage of our NAISS Large Compute project and to promote successful theoretical research in the Materials Design division at Linköping University with more than 10 theoretical researchers active in computation. We have consistently, over a number of years, proven that we use allocated resources in an efficient and productive manner resulting in a large number of scientific publications and recognition in the form of prestigious grants from VR, ERC, SSF, KAW, Göran Gustafson, and WISE. Project storage enables use of use state-of-the-art theory and supercomputer resources, hand in hand with experimental synthesis and characterization, to resolve scientific problems and conduct research of advanced functional materials for green energy and emerging technologies.