An AI–DFT integrated framework accelerates materials discovery and design
Researchers from China University of Petroleum (East China), in collaboration with international partners, have reported a comprehensive review of artificial intelligence (AI) techniques integrated with density functional theory (DFT) to accelerate materials discovery, property prediction, and rational design. The work outlines how AI–DFT coupling improves computational efficiency and enables a shift from traditional trial-and-error approaches toward intelligent, data-driven materials innovation.
Materials ...