3 records found.

Shinotsuka2023_JES267_147370.pdf
Sample structure prediction from measured XPS data using Bayesian estimation and SESSA simulator
Journal article
Creator
Hiroshi Shinotsuka (author) (Search by this author)
Research and Services Division of Materials Data and Integrated System, National Institute for Materials Science
ORCID SAMURAI ;
Kenji Nagata (author) (Search by this author)
Research and Services Division of Materials Data and Integrated System, National Institute for Materials Science
ORCID SAMURAI ;
Malinda Siriwardana (author) (Search by this author)
Research and Services Division of Materials Data and Integrated System, National Institute for Materials Science
;
Hideki Yoshikawa (author) (Search by this author)
Research and Services Division of Materials Data and Integrated System, National Institute for Materials Science
ORCID SAMURAI ;
Hayaru Shouno (author) (Search by this author)
Graduate School of Informatics and Engineering, The University of Electro-Communications
ORCID ;
Masato Okada (author) (Search by this author)
Graduate School of Frontier Science, The University of Tokyo
ORCID
Keyword
X-ray photoelectron spectroscopy, Bayesian estimation, Exchange Monte Carlo method, SESSA
Date published
2023-07-06
Updated at
2024-01-05 22:11:57 +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
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