CrySPY: a crystal structure prediction tool accelerated by machine learning

Journal article

Creator

Tomoki Yamashita (author) (Search by this author)

Tomoki Yamashita ;

Shinichi Kanehira (author) (Search by this author)

Shinichi Kanehira ;

Nobuya Sato (author) (Search by this author)

Nobuya Sato ;

Hiori Kino (author) (Search by this author)

https://orcid.org/0000-0002-8912-686X

National Institute for Materials Science

Hiori Kino ;

Kei Terayama (author) (Search by this author)

Kei Terayama ;

Hikaru Sawahata (author) (Search by this author)

Hikaru Sawahata ;

Takumi Sato (author) (Search by this author)

Takumi Sato ;

Futoshi Utsuno (author) (Search by this author)

Futoshi Utsuno ;

Koji Tsuda (author) (Search by this author)

https://orcid.org/0000-0002-4288-1606

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

Koji Tsuda ;

Takashi Miyake (author) (Search by this author)

https://orcid.org/0000-0003-2658-3470

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

Takashi Miyake ;

Tamio Oguchi (author) (Search by this author)

Tamio Oguchi

Keyword

crystal structure prediction, Bayesian optimization, LAQA, first-principles calculations, evolutionary algorithm

Date published

2021-01-01

Updated at

2024-04-02 23:51:18 +0900