4 records found.

Autonomous search for half-metallic materials with B2 structure.pdf
Autonomous search for half-metallic materials with B 2 structure
Journal article
Creator
ORCID SAMURAI ; ORCID SAMURAI ;
Takahiro Yamazaki (author) (Search by this author)
ORCID ;
Yasuhiko Igarashi (author) (Search by this author)
ORCID ;
Masato Kotsugi (author) (Search by this author)
ORCID ; ORCID SAMURAI
Keyword
Machine learning, Autonomous, ab initio, Half metal
Date published
2024-12-31
Updated at
2024-10-04 08:30:32 +0900
Efficient autonomous material search method combining ab initio calculations autoencoder and multi objective Bayesian optimization.pdf
Efficient autonomous material search method combining ab initio calculations, autoencoder, and multi-objective Bayesian optimization
Journal article
Creator
ORCID SAMURAI ;
Hwang Jaekyun (author) (Search by this author)
ORCID ; ORCID SAMURAI ;
Masato Kotsugi (author) (Search by this author)
ORCID ;
Yasuhiko Igarashi (author) (Search by this author)
ORCID
Keyword
autonomous materials search, ab-initio, Machine learning
Date published
2022-12-31
Updated at
2024-01-05 22:14:05 +0900
Dataset
Machine learning prediction of coordination energies for alkali group elements in battery electrolyte solvents
Dataset
Creator
ORCID SAMURAI ; ORCID SAMURAI ;
IGARASHI, Yasuhiko (author) (Search by this author)
ORCID ;
NAKAYAMA, Tomofumi (author) (Search by this author)
ORCID ; ORCID SAMURAI ;
OKADA, Masato (author) (Search by this author)
ORCID
Keyword
quantum chemistry, electrolyte, battery
Date published
2019-11-18
Updated at
2024-01-05 22:13:39 +0900
c7cp08280k.pdf
Liquid electrolyte informatics using an exhaustive search with linear regression
Dataset
Creator
SODEYAMA, Keitaro (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
IGARASHI, Yasuhiko (author) (Search by this author)
ORCID ;
NAKAYAMA, Tomofumi (author) (Search by this author)
ORCID ;
TATEYAMA, Yoshitaka (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
OKADA, Masato (author) (Search by this author)
ORCID
Keyword
molecules, Li-ion battery, quantum chemistry calculations, materials informatics, Gaussian09, organic solvents
Date published
2018-06-14
Updated at
2024-02-08 17:54:30 +0900