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Dataset
Benchmark Dataset used in the paper "Fast Evaluation of Unbiased Atomic Forces in ab initio Variational Monte Carlo via the Lagrangian Technique"
Dataset
Creator
Kosuke Nakano (author) (Search by this author)
Center for Basic Research on Materials (CBRM), National Institute for Materials Science (NIMS)
ORCID SAMURAI ;
Stefano Battaglia (author) (Search by this author)
Department of Chemistry, University of Zurich (UZH)
;
Jürg Hutter (author) (Search by this author)
Department of Chemistry, University of Zurich (UZH)
Keyword
Variational Monte Carlo, Atomic forces, rMD17
Date published
Updated at
2026-01-28 08:30:04 +0900
Dataset
A material dictionary database to extract information on permanent magnets from scientific articles
Dataset
Creator
Akira Suzuki (author) (Search by this author)
Research and Services Division of Materials Data and Integrated System, National Institute for Materials Science
ORCID
Keyword
database, magnetic property, materials informatics, natural language processing, ontology, information extraction
Date published
Updated at
2023-01-31 22:30:50 +0900
K2Ni(H2IO6)2.thumb.png
XAFS spectrum of Potassium nickel(IV) paraperiodate
Dataset
Collection
MDR XAFS DB
Creator
Masashi Ishii (editor) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Industrial Application and Partnership Division (author) (Search by this author)
Japan Synchrotron Radiation Research Institute
Keyword
collection - MDR XAFS DB, XAFS, SPring-8, BL14B2, Si(111), K2Ni(H2IO6)2, Ni K-edge, Periodate, Potassium nickel(IV) paraperiodate
Date published
2021-07-21
Updated at
2025-05-02 21:58:17 +0900
K2Ni(H2IO6)2.thumb.png
XAFS spectrum of Potassium nickel(IV) paraperiodate
Dataset
Collection
MDR XAFS DB
Creator
Masashi Ishii (editor) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Industrial Application and Partnership Division (author) (Search by this author)
Japan Synchrotron Radiation Research Institute
Keyword
collection - MDR XAFS DB, XAFS, SPring-8, BL14B2, Si(311), K2Ni(H2IO6)2, Ni K-edge, Periodate, Potassium nickel(IV) paraperiodate
Date published
2021-07-21
Updated at
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
Dataset
Creator
Yanagida Masatoshi (author) (Search by this author)
NIMS
Keyword
PYS, Photoelectron yield spectroscopy
Date published
2021-05-24
Updated at
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)
Dataset
Creator
Yuma Iwasaki (depositor) (Search by this author)
Center for Basic Research on Materials, National Institute for Materials Science
ORCID SAMURAI
Keyword
magnetic moment, Curie temperature, Spin polarization, alloy, B2
Date published
Updated at
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
Dataset
Creator
Shinya Hosokawa (author) (Search by this author)
;
Yohei Onodera (author) (Search by this author)
;
László Pusztai (author) (Search by this author)
;
Jens Rüdiger Stellhorn (author) (Search by this author)
;
Hiroo Tajiri (author) (Search by this author)
;
Kazutaka Ikeda (author) (Search by this author)
;
Toshiya Otomo (author) (Search by this author)
Keyword
Neutron diffraction, Anomalous X-ray scattering, Reverse Monte Carlo modeling, Glass structure
Date published
2026-06-12
Updated at
2026-06-17 10:24:46 +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
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
TSTM-2025-0032.R1_graphical_abstract.pdf
Designing a Unified Data Structure for Solid-Electrolyte Research Projects
Dataset
Creator
Yasuhiro Fujiwara (author) (Search by this author)
Research Network and Facility Services Division/Materials Data Platform/Data Application 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 ;
Kazunori Takada (author) (Search by this author)
Research Center for Energy and Environmental Materials (GREEN)/Battery and Cell Materials Field/Solid-State Battery Group, National Institute for Materials Science
ORCID SAMURAI ;
Kota Suzuki (author) (Search by this author)
Institute of Science Tokyo
;
Satoshi Hori (author) (Search by this author)
Institute of Science Tokyo
;
Masaki Azuma (author) (Search by this author)
Institute of Science Tokyo
;
Ryoji Kanno (author) (Search by this author)
Institute of Science Tokyo
;
Yoshiyuki Inaguma (author) (Search by this author)
Gakushuin University
;
Akitoshi Hayashi (author) (Search by this author)
Osaka Metropolitan University
;
Yasutoshi Iriyama (author) (Search by this author)
Graduate School of Engineering, Nagoya University
;
Hirotoshi Yamada (author) (Search by this author)
Nagasaki University
;
Tetsuhiro Katsumata (author) (Search by this author)
Tokai University
Keyword
process chain, data structure, data model, data management, Research Data Express, RDE, solid electrolytes
Date published
2025-12-31
Updated at
2025-12-19 08:30:30 +0900