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データセット
Benchmark Dataset used in the paper "Fast Evaluation of Unbiased Atomic Forces in ab initio Variational Monte Carlo via the Lagrangian Technique"
データセット
著者
Kosuke Nakano (author) (この著者で検索)
National Institute for Materials Science (NIMS) Center for Basic Research on Materials (CBRM)
ORCID SAMURAI ;
Stefano Battaglia (author) (この著者で検索)
University of Zurich (UZH) Department of Chemistry
;
Jürg Hutter (author) (この著者で検索)
University of Zurich (UZH) Department of Chemistry
キーワード
Variational Monte Carlo, Atomic forces, rMD17
刊行年月日
更新時刻
2026-01-28 08:30:04 +0900
Dataset
A material dictionary database to extract information on permanent magnets from scientific articles
データセット
著者
Akira Suzuki (author) (この著者で検索)
National Institute for Materials Science Research and Services Division of Materials Data and Integrated System
ORCID
キーワード
database, magnetic property, materials informatics, natural language processing, ontology, information extraction
刊行年月日
更新時刻
2023-01-31 22:30:50 +0900
K2Ni(H2IO6)2.thumb.png
XAFS spectrum of Potassium nickel(IV) paraperiodate
データセット
コレクション
MDR XAFS DB
著者
Masashi Ishii (editor) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Industrial Application and Partnership Division (author) (この著者で検索)
Japan Synchrotron Radiation Research Institute
キーワード
collection - MDR XAFS DB, XAFS, SPring-8, BL14B2, Si(111), K2Ni(H2IO6)2, Ni K-edge, Periodate, Potassium nickel(IV) paraperiodate
刊行年月日
2021-07-21
更新時刻
2025-05-02 21:58:17 +0900
K2Ni(H2IO6)2.thumb.png
XAFS spectrum of Potassium nickel(IV) paraperiodate
データセット
コレクション
MDR XAFS DB
著者
Masashi Ishii (editor) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Industrial Application and Partnership Division (author) (この著者で検索)
Japan Synchrotron Radiation Research Institute
キーワード
collection - MDR XAFS DB, XAFS, SPring-8, BL14B2, Si(311), K2Ni(H2IO6)2, Ni K-edge, Periodate, Potassium nickel(IV) paraperiodate
刊行年月日
2021-07-21
更新時刻
2025-05-02 21:43:16 +0900
Dataset
Passivation of Bulk and Interface Defects in Sputtered-NiOx‑BasedPlanar Perovskite Solar Cells: A Facile Interfacial EngineeringStrategy with Alkali Metal Halide Salts
データセット
著者
Yanagida Masatoshi (author) (この著者で検索)
NIMS
キーワード
PYS, Photoelectron yield spectroscopy
刊行年月日
2021-05-24
更新時刻
2023-03-30 23:37:47 +0900
Dataset
Dataset of B2-structured ternary alloys for magnetic moment, Curie temperature, and spin polarization calculated by KKR-CPA (AkaiKKR)
データセット
著者
Yuma Iwasaki (depositor) (この著者で検索)
National Institute for Materials Science Center for Basic Research on Materials
ORCID SAMURAI
キーワード
magnetic moment, Curie temperature, Spin polarization, alloy, B2
刊行年月日
更新時刻
2025-03-13 08:30:08 +0900
jpscp.45.011046.pdf
Local- and Intermediate-Range Atomic Structures of (Ga 2 S 3 ) 0.25 (GeS 2 ) 0.75 Glass: Complementary Use of X-Rays and Neutrons
データセット
著者
Shinya Hosokawa (author) (この著者で検索)
;
Yohei Onodera (author) (この著者で検索)
;
László Pusztai (author) (この著者で検索)
;
Jens Rüdiger Stellhorn (author) (この著者で検索)
;
Hiroo Tajiri (author) (この著者で検索)
;
Kazutaka Ikeda (author) (この著者で検索)
;
Toshiya Otomo (author) (この著者で検索)
キーワード
Neutron diffraction, Anomalous X-ray scattering, Reverse Monte Carlo modeling, Glass structure
刊行年月日
2026-06-12
更新時刻
2026-06-17 10:24:46 +0900
c7cp08280k.pdf
Liquid electrolyte informatics using an exhaustive search with linear regression
データセット
著者
SODEYAMA, Keitaro (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
IGARASHI, Yasuhiko (author) (この著者で検索)
ORCID ;
NAKAYAMA, Tomofumi (author) (この著者で検索)
ORCID ;
TATEYAMA, Yoshitaka (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
OKADA, Masato (author) (この著者で検索)
ORCID
キーワード
molecules, Li-ion battery, quantum chemistry calculations, materials informatics, Gaussian09, organic solvents
刊行年月日
2018-06-14
更新時刻
2024-02-08 17:54:30 +0900
Dataset
Machine learning prediction of coordination energies for alkali group elements in battery electrolyte solvents
データセット
著者
ORCID SAMURAI ; ORCID SAMURAI ;
IGARASHI, Yasuhiko (author) (この著者で検索)
ORCID ;
NAKAYAMA, Tomofumi (author) (この著者で検索)
ORCID ; ORCID SAMURAI ;
OKADA, Masato (author) (この著者で検索)
ORCID
キーワード
quantum chemistry, electrolyte, battery
刊行年月日
2019-11-18
更新時刻
2024-01-05 22:13:39 +0900
TSTM-2025-0032.R1_graphical_abstract.pdf
Designing a Unified Data Structure for Solid-Electrolyte Research Projects
データセット
著者
Yasuhiro Fujiwara (author) (この著者で検索)
National Institute for Materials Science Research Network and Facility Services Division/Materials Data Platform/Data Application Unit
ORCID SAMURAI ;
Masahiko Demura (author) (この著者で検索)
National Institute for Materials Science Research Network and Facility Services Division
ORCID SAMURAI ;
Kazunori Takada (author) (この著者で検索)
National Institute for Materials Science Research Center for Energy and Environmental Materials (GREEN)/Battery and Cell Materials Field/Solid-State Battery Group
ORCID SAMURAI ;
Kota Suzuki (author) (この著者で検索)
Institute of Science Tokyo
;
Satoshi Hori (author) (この著者で検索)
Institute of Science Tokyo
;
Masaki Azuma (author) (この著者で検索)
Institute of Science Tokyo
;
Ryoji Kanno (author) (この著者で検索)
Institute of Science Tokyo
;
Yoshiyuki Inaguma (author) (この著者で検索)
Gakushuin University
;
Akitoshi Hayashi (author) (この著者で検索)
Osaka Metropolitan University
;
Yasutoshi Iriyama (author) (この著者で検索)
Graduate School of Engineering, Nagoya University
;
Hirotoshi Yamada (author) (この著者で検索)
Nagasaki University
;
Tetsuhiro Katsumata (author) (この著者で検索)
Tokai University
キーワード
process chain, data structure, data model, data management, Research Data Express, RDE, solid electrolytes
刊行年月日
2025-12-31
更新時刻
2025-12-19 08:30:30 +0900