Keyword: materials informatics
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Statistical Analysis of Interatomic Transfer Integrals for exploring high-mobility organic semiconductors.pdf
Statistical Analysis of Interatomic Transfer Integrals for exploring high-mobility organic semiconductors
Journal article
Creator
Koki Ozawa (author) (Search by this author)
Toyota Central R&D Labs. Inc
;
Tomoharu Okada (author) (Search by this author)
;
Hiroyuki Matsui (author) (Search by this author)
Research Center for Organic Electronics (ROEL), Yamagata University
Keyword
Organic semiconductors, transfer integrals, density functional theory, materials informatics, organic transistors
Date published
2024-12-31
Updated at
2024-06-04 08:30:18 +0900
STAMMethods4(2024)2326305.pdf
Alloys innovation through machine learning: a statistical literature review
Journal article
Creator
Alireza Valizadeh (author) (Search by this author)
;
Ryoji Sahara (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Maaouia Souissi (author) (Search by this author)
Keyword
Alloy development, machine learning, data-driven research, materials informatics, Materials Genome Initiative, Materials databases
Date published
2024-12-31
Updated at
2024-06-25 12:30:16 +0900
JCP21-AR-COMMA2021-00971.pdf
Combination of recommender system and single-particle diagnosis for accelerated discovery of novel nitrides
Journal article
Creator
ORCID SAMURAI ;
SEKO, Atsuto (author) (Search by this author)
ORCID ;
TANAKA, Isao (author) (Search by this author)
ORCID ; ORCID SAMURAI ; ORCID SAMURAI
Keyword
materials informatics, density functional theory calculation, materials search
Date published
2021-06-14
Updated at
2024-01-05 22:12:06 +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
An interpretable linear model bridging data-driven analysis and chemical intuition for Eu2 -phosphor emissions.pdf
An interpretable linear model bridging data-driven analysis and chemical intuition for Eu 2+ -phosphor emissions
Journal article
Creator
ORCID SAMURAI ;
Ryusei Hayasaka (author) (Search by this author)
;
Yuta Matsushima (author) (Search by this author)
ORCID ; ORCID SAMURAI ; ORCID SAMURAI ;
Naoto Hirosaki (author) (Search by this author)
Keyword
materials informatics, phosphor, europium, machine learning, interpretability, linear model, composition-based feature
Date published
2026-12-31
Updated at
2026-07-07 14:31:04 +0900
Research data express a data accumulation and sharing system for digital transformation in materials research.pdf
Research Data Express: a data accumulation and sharing system for digital transformation in materials research
Journal article
Creator
Jun Fujima (author) (Search by this author)
Research Network and Facility Services Division/Materials Data Platform/Data Application Unit, National Institute for Materials Science
ORCID SAMURAI ;
Hideki Yoshikawa (author) (Search by this author)
Research Network and Facility Services Division/Materials Data Platform/Data Application Unit, National Institute for Materials Science
ORCID SAMURAI ;
Hiroko Nagao (author) (Search by this author)
Research Network and Facility Services Division/Materials Data Platform/Data Application Unit, National Institute for Materials Science
;
Hiroaki Tosaka (author) (Search by this author)
Research Network and Facility Services Division/Materials Data Platform/Data Infrastructure Unit, National Institute for Materials Science
;
Takuya Kadohira (author) (Search by this author)
Research Network and Facility Services Division/Materials Data Platform/Data Infrastructure Unit, National Institute for Materials Science
ORCID SAMURAI ;
Masahiko Demura (author) (Search by this author)
Research Network and Facility Services Division, National Institute for Materials Science
ORCID SAMURAI
Keyword
materials informatics, data management system, digital transformation (DX), dataset Template, workflow automation
Date published
2025-12-31
Updated at
2025-12-19 16:30:40 +0900
RDA_VP15_poster_v4.pdf
Materials metadata: as a custom schema, as directories, or in a data package
Conference poster
Collection
The history of DICE and NIMS Digital Library
Creator
ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI ; ORCID
Keyword
materials informatics, data platform, metadata
Date published
2020-03-18
Updated at
2025-03-27 17:32:22 +0900
2205.00829.pdf
Function Decomposition Tree with Causality-First Perspective and Systematic Description of Problems in Materials Informatics
Report
Creator
Hiori Kino (author) (Search by this author)
National Institute for Materials Science
ORCID ;
Hieu Chi Dam (author) (Search by this author)
;
Takashi Miyake (author) (Search by this author)
;
Riichiro Mizoguchi (author) (Search by this author)
Keyword
functional decomposition, materials informatics, ontology, knowledge sharing
Date published
Updated at
2024-03-22 10:53:31 +0900
Semi-automatic staging area for high-quality structured data extraction from scientific literature.pdf
Semi-automatic staging area for high-quality structured data extraction from scientific literature
Journal article
Creator
Luca Foppiano (author) (Search by this author)
National Institute for Materials Science
ORCID ;
Tomoya Mato (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Kensei Terashima (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Pedro Ortiz Suarez (author) (Search by this author)
;
Taku Tou (author) (Search by this author)
; ORCID ;
Wei-Sheng Wang (author) (Search by this author)
National Institute for Materials Science
ORCID ;
Toshiyuki Amagasa (author) (Search by this author)
;
Yoshihiko Takano (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Masashi Ishii (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI
Keyword
materials informatics, superconductors, machine learning, database, tdm
Date published
2023-12-31
Updated at
2024-07-11 16:30:24 +0900
s41598-024-76800-4 (1).pdf
Performance of uncertainty-based active learning for efficient approximation of black-box functions in materials science
Journal article
Creator
Ai Koizumi (author) (Search by this author)
;
Guillaume Deffrennes (author) (Search by this author)
;
Kei Terayama (author) (Search by this author)
; ORCID SAMURAI
Keyword
active learning, black-box function, materials informatics
Date published
2024-11-06
Updated at
2024-11-21 16:35:14 +0900
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