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toast-0.6.0-manual-0.8-en.pdf
TOAST: Template Oriented Atomic Simulation Toolkit
データセット
著者
ORCID SAMURAI ; ORCID SAMURAI
キーワード
CompES-X, toolkit, First-principles calculation, atomic simulation
刊行年月日
2020-11-20
更新時刻
2022-10-03 01:26:50 +0900
データセット
LRDMC Benchmark Dataset for Noncovalent Interaction Systems
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 ;
Benjamin X. Shi (author) (この著者で検索)
Flatiron Institute Initiative for Computational Catalysis
;
Dario Alfè (author) (この著者で検索)
Università di Napoli Federico II Dipartimento di Fisica Ettore Pancini
;
Andrea Zen (author) (この著者で検索)
Università di Napoli Federico II Dipartimento di Fisica Ettore Pancini
キーワード
Diffusion Monte Carlo, Noncovalent Interaction Systems, TurboRVB
刊行年月日
更新時刻
2026-09-03 13:56:17 +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
Dataset
DICE common message format schema
データセット
コレクション
The history of DICE and NIMS Digital Library
著者
Materials Data Platform Center (author) (この著者で検索)
キーワード
Materials informatics, Data management, System architecture, Metadata
刊行年月日
2020-07-22
更新時刻
2022-10-03 01:55:22 +0900
Dataset
Leveraging Segmentation of Physical Units through a Newly Open Source Corpus
データセット
著者
ORCID ; ORCID ; ORCID SAMURAI ; ORCID SAMURAI ; ORCID
キーワード
刊行年月日
2019-10-25
更新時刻
2022-10-03 01:25:01 +0900
Dataset
Examples of SQS (special quasirandom structure) models for arbitrary binary bcc (body centered cubic) and hcp (hexagonal close packed) structures
データセット
著者
ORCID SAMURAI
キーワード
Sommerfeld model, quasi-harmonic vibrational contribution, First-principles calculation, Debye model, titanium alloys
刊行年月日
2020-10-15
更新時刻
2024-01-05 22:12:16 +0900
Kinzoku-spreadsheet-columns-0.6.xlsx
Supplemental data to 'A unified model for metallic materials reliability data and its application in NIMS Metallic Materials Database (Kinzoku)'
データセット
著者
Asahiko Matsuda (author) (この著者で検索)
National Institute for Materials Science Research Network and Facility Services Division
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 ;
Masayoshi Yamazaki (author) (この著者で検索)
National Institute for Materials Science
;
Takuya Kadohira (author) (この著者で検索)
National Institute for Materials Science Research Network and Facility Services Division
ORCID SAMURAI ;
Toshihiro Ashino (author) (この著者で検索)
Toyo University Faculty of Regional Development Studies
ORCID ;
Yoshiyuki Furuya (author) (この著者で検索)
National Institute for Materials Science Research Center for Structural Materials
ORCID SAMURAI ;
Kota Sawada (author) (この著者で検索)
National Institute for Materials Science Research Center for Structural Materials
ORCID SAMURAI ;
Nobutaka Nishikawa (author) (この著者で検索)
Mizuho Research & Technologies, Ltd.
キーワード
metallic materials, structural materials, database, data format, data model, creep, fatigue
刊行年月日
2025-12-31
更新時刻
2025-08-01 08:55:21 +0900
DataSummary_Extrusion_Manuscript_20210728.xlsx
Process parameters and magnetic properties (coercivity, remanence, squareness, maximum energy product) of data-driven fabrication of Nd-Fe-B anisotropic magnets by direct hot extrusion.
データセット
著者
ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI
キーワード
Maximum energy product, Coercivity, Squareness, Machine learning, Remanence, Process, Bayesian Optimization, Hot extrusion, Active learning, Nd-Fe-B magnet
刊行年月日
2021-10-11
更新時刻
2022-10-03 02:01:08 +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
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