Atomic descriptors generated from coordination polyhedra in crystal structures

Journal article

Creator

Yuki Inada (author) (Search by this author)

Yuki Inada ;

Yukari Katsura (author) (Search by this author)

https://orcid.org/0000-0002-8905-2995

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

Yukari Katsura ;

Masaya Kumagai (author) (Search by this author)

Masaya Kumagai ;

Kaoru Kimura (author) (Search by this author)

Kaoru Kimura

Keyword

Materials informatics, machine learning, atomic descriptors, coordination polyhedra, formation energy prediction, band gap prediction

Date published

2021-01-01

Updated at

2024-11-21 16:35:29 +0900