Explainable artificial intelligence for materials discovery: application to catalysts for the HER and ORR.
Sign Up to like & getrecommendations! Published in 2025 at "Chemical science"
DOI: 10.1039/d5sc06442b
Abstract: The extraordinary progress of strategies coupling ab initio calculations and machine learning (ML) has opened the door for both fast and accurate chemical/physical property predictions and for the virtual design of materials. However, these techniques… read more here.
Keywords: artificial intelligence; materials discovery; discovery application; explainable artificial ... See more keywords
Artificial Intelligence for Materials Discovery
Sign Up to like & getrecommendations! Published in 2023 at "Communications of the ACM"
DOI: 10.1145/3583080
Abstract: Finding novel materials needs more than pure machine learning. read more here.
Keywords: artificial intelligence; intelligence materials; materials discovery;