Atomic descriptors generated from coordination polyhedra in crystal structures

論文

著者

Yuki Inada ; Yukari Katsura ; Masaya Kumagai ; Kaoru Kimura

キーワード

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

刊行年月日

2021-01-01

更新時刻

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