Efficient first principles based modeling via machine learning: from simple representations to high entropy materials

J. Mater. Chem. A, 2024, Accepted Manuscript DOI: 10.1039/D4TA00982G, PaperKangming Li, Kamal Choudhary, Brian DeCost, Michael Greenwood, Jason Hattrick-Simpers High-entropy materials (HEMs) have recently emerged as a significant category of materials, offering highly tunable properties. However, the scarcity of HEM data in existing density functional theory (DFT) databases, primarily... The content of this RSS Feed (c) The Royal Society of Chemistry
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