Materials Volume 14 Issue 21 Materials, Vol 14, Iss 6633, p 6633 (2021) Materials 14(21), 6633 (2021). doi:10.3390/ma14216633 special issue: "Special Issue "Multiscale Modeling of Energy Materials" / Special Issue Editors: Dr. Hossein Mirhossein, Guest Editor; Prof. Dr. Thomas D. Kühne, Guest Editor"