EDITORIAL article Front. Mater., 29 July 2021Sec. Smart Materials https://doi.org/10.3389/fmats.2021.720172

Abstract Materials design based on density functional theory (DFT) calculations is an emergent field of great potential to accelerate the development and employment novel materials. Magnetic materials play essential role in green energy applications as they provide efficient ways harvesting, converting, utilizing energy. In this review, after a brief introduction major functionalities magnetic ...