Keyword: crystal structure prediction

2 records found.

s42005-025-02380-y.pdf
Predicting symmetric structures of large crystals with GPU-based Ising machines
Journal article
Creator
Chen Liang (author) (Search by this author)
;
Diptesh Das (author) (Search by this author)
;
Jiang Guo (author) (Search by this author)
; ORCID SAMURAI ;
Zetian Mao (author) (Search by this author)
ORCID ; ORCID SAMURAI
Keyword
crystal structure prediction, Ising machine
Date published
2025-11-26
Updated at
2025-12-09 16:30:31 +0900

CrySPY a crystal structure prediction tool accelerated by machine learning.pdf
CrySPY: a crystal structure prediction tool accelerated by machine learning
Journal article
Creator
Tomoki Yamashita (author) (Search by this author)
;
Shinichi Kanehira (author) (Search by this author)
;
Nobuya Sato (author) (Search by this author)
;
Hiori Kino (author) (Search by this author)
National Institute for Materials Science
ORCID ;
Kei Terayama (author) (Search by this author)
;
Hikaru Sawahata (author) (Search by this author)
;
Takumi Sato (author) (Search by this author)
;
Futoshi Utsuno (author) (Search by this author)
;
Koji Tsuda (author) (Search by this author)
ORCID SAMURAI ;
Takashi Miyake (author) (Search by this author)
ORCID SAMURAI ;
Tamio Oguchi (author) (Search by this author)
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