Efficient autonomous material search method combining ab initio calculations, autoencoder, and multi-objective Bayesian optimization

Journal article

Creator

Yuma Iwasaki (author) (Search by this author)

https://orcid.org/0000-0002-7117-277X

NIMS Researchers Directory SAMURAI

Yuma Iwasaki ;

Hwang Jaekyun (author) (Search by this author)

https://orcid.org/0000-0002-1792-0044 (unauthenticated)

Hwang Jaekyun ;

Yuya Sakuraba (author) (Search by this author)

https://orcid.org/0000-0003-4618-9550

NIMS Researchers Directory SAMURAI

Yuya Sakuraba ;

Masato Kotsugi (author) (Search by this author)

https://orcid.org/0000-0002-4841-1808 (unauthenticated)

Masato Kotsugi ;

Yasuhiko Igarashi (author) (Search by this author)

https://orcid.org/0000-0003-1042-6657 (unauthenticated)

Yasuhiko Igarashi

Keyword

autonomous materials search, ab-initio, Machine learning

Date published

2022-12-31

Updated at

2024-01-05 22:14:05 +0900