Journal of Materials Chemistry A • Vol 12 • No 21
Efficient first principles based modeling <i>via</i> machine learning: from simple representations to high entropy materials
January 2024 • Kangming Li, Kamal Choudhary, Brian DeCost, Michael T. Greenwood, Jason Hattrick‐Simpers
Generalization performance of machine learning models: (upper panel) generalization from small ordered to large disordered structures (SQS); (lower panel) generalization from low-order to high-order systems.