Accelerating the design of compositionally complex materials via physics-informed artificial intelligence

Nat Comput Sci. 2023 Mar;3(3):198-209. doi: 10.1038/s43588-023-00412-7. Epub 2023 Mar 31.

Abstract

The chemical space for designing materials is practically infinite. This makes disruptive progress by traditional physics-based modeling alone challenging. Yet, training data for identifying composition-structure-property relations by artificial intelligence are sparse. We discuss opportunities to discover new chemically complex materials by hybrid methods where physics laws are combined with artificial intelligence.

Publication types

  • Review

MeSH terms

  • Artificial Intelligence*
  • Physics*