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363 records found. Displaying records 1 to 10.
Scaling Law of Sim2Real transfer learning in expanding computational materials databases for real-world predictions
- Journal article
- Creator
-
Shunya Minami (author) (Search by this author)
https://orcid.org/0000-0002-3566-817X
(unauthenticated)
;
Yoshihiro Hayashi (author) (Search by this author)
https://orcid.org/0000-0002-7650-4083
(unauthenticated)
;
Stephen Wu (author) (Search by this author)
https://orcid.org/0000-0002-7847-8106
(unauthenticated)
;
;Kenji Fukumizu (author) (Search by this author);Hiroki Sugisawa (author) (Search by this author)Masashi Ishii (author) (Search by this author)
;
Isao Kuwajima (author) (Search by this author)
;
;Kazuya Shiratori (author) (Search by this author)Ryo Yoshida (author) (Search by this author)
https://orcid.org/0000-0001-8092-0162
(unauthenticated)
- Keyword
- molecular dynamics simulation, scaling law of simulation- to-real, Sim2Real, transfer learning, PoLyInfo
- Date published
- 2025-05-24
- Updated at
- 2025-06-13 16:30:25 +0900
XTDB, an XML based format for Calphad databases
- Journal article
- Creator
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;Bo Sundman (author) (Search by this author);Fabio Miani (author) (Search by this author);Axel van de Walle (author) (Search by this author);Bengt Hallstedt (author) (Search by this author);Ursula R. Kattner (author) (Search by this author);Florian Tang (author) (Search by this author)Taichi Abe (author) (Search by this author)National Institute for Materials Science
;
;Reza Naraghi (author) (Search by this author);Erwin Povoden-Karadeniz (author) (Search by this author);Aurelie Jacob (author) (Search by this author);Shuanglin Chen (author) (Search by this author);Richard Otis (author) (Search by this author);Kazuhisa Shobu (author) (Search by this author);Malin Selleby (author) (Search by this author)Alexander Pisch (author) (Search by this author)
- Keyword
- Computational Thermodynamics, Calphad, XML
- Date published
- 2025-07-23
- Updated at
- 2025-07-30 12:30:38 +0900
Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations
- Journal article
- Creator
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;Masato Ohnishi (author) (Search by this author);Tianqi Deng (author) (Search by this author);Pol Torres (author) (Search by this author);Zhihao Xu (author) (Search by this author)Terumasa Tadano (author) (Search by this author)
;
;Haoming Zhang (author) (Search by this author);Wei Nong (author) (Search by this author);Masatoshi Hanai (author) (Search by this author);Zeyu Wang (author) (Search by this author);Michimasa Morita (author) (Search by this author);Zhiting Tian (author) (Search by this author);Ming Hu (author) (Search by this author);Xiulin Ruan (author) (Search by this author);Ryo Yoshida (author) (Search by this author);Toyotaro Suzumura (author) (Search by this author);Lucas Lindsay (author) (Search by this author);Alan J. H. McGaughey (author) (Search by this author);Tengfei Luo (author) (Search by this author);Kedar Hippalgaonkar (author) (Search by this author)Junichiro Shiomi (author) (Search by this author)
- Keyword
- Thermal conductivity, Phonon, First-principles calculation
- Date published
- 2026-04-13
- Updated at
- 2026-05-12 08:46:56 +0900
NIMS polymer database PoLyInfo (II): machine-readable standardization of polymer knowledge expression
- Journal article
- Creator
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Masashi Ishii (author) (Search by this author)National Institute for Materials Science
;
;Takuro Ito (author) (Search by this author)Koichi Sakamoto (author) (Search by this author)
- Keyword
- PoLyInfo, ontology, schema, RDF, ShEx, SPARQL, linked data
- Date published
- 2024-12-31
- Updated at
- 2024-07-11 16:30:21 +0900
Integration of X-ray Absorption Fine Structure Databases for Data-Driven Materials Science
- Journal article
- Collection
- The history of DICE and NIMS Digital Library
- Creator
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Masashi Ishii (author) (Search by this author)National Institute for Materials Science
;
Kosuke Tanabe (author) (Search by this author)National Institute for Materials Science
;
Asahiko Matsuda (author) (Search by this author)National Institute for Materials Science
;
Hironori Ofuchi (author) (Search by this author)
https://orcid.org/0000-0003-1718-4427
(unauthenticated)
;
Takahiro Matsumoto (author) (Search by this author)
https://orcid.org/0000-0001-6949-5492
(unauthenticated)
;
;Toyonari Yaji (author) (Search by this author)Yasuhiro Inada (author) (Search by this author)
https://orcid.org/0000-0001-5772-4788
(unauthenticated)
;
Hiroaki Nitani (author) (Search by this author)
https://orcid.org/0000-0002-7155-0304
(unauthenticated)
;
Masao Kimura (author) (Search by this author)
https://orcid.org/0000-0001-8645-2224
(unauthenticated)
;
Kiyotaka Asakura (author) (Search by this author)
https://orcid.org/0000-0003-1077-5996
(unauthenticated)
- Keyword
- X-ray absorption fine structure, data integration, metadata, materials data repository, DOI, RDF
- Date published
- 2023-12-31
- Updated at
- 2024-06-10 09:03:53 +0900
NIMS polymer database PoLyInfo (I): an overarching view of half a million data points
- Journal article
- Creator
-
Masashi Ishii (author) (Search by this author)National Institute for Materials Science
;
;Takuro Ito (author) (Search by this author);Hiroko Sado (author) (Search by this author)Isao Kuwajima (author) (Search by this author)National Institute for Materials Science
- Keyword
- polymer, database, PoLyInfo, human-readable, data curation, lexicon, structure determination
- Date published
- 2024-12-31
- Updated at
- 2024-07-11 16:30:18 +0900
Data‐Driven Cycle Life Prediction of Lithium Metal‐Based Rechargeable Battery Based on Discharge/Charge Capacity and Relaxation Features
- Journal article
- Creator
-
;Qianli Si (author) (Search by this author)National Institute for Materials ScienceShoichi Matsuda (author) (Search by this author)National Institute for Materials Science
;
Youhei Yamaji (author) (Search by this author)National Institute for Materials Science
;
;Toshiyuki Momma (author) (Search by this author)Yoshitaka Tateyama (author) (Search by this author)National Institute for Materials Science
- Keyword
- lithium metal battery
- Date published
- 2024-06-27
- Updated at
- 2024-11-22 16:30:54 +0900
Computational Single-Atom Catalyst Database Empowers the Machine Learning Assisted Design of High-Performance Catalysts
- Journal article
- Creator
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;Mingye Huang (author) (Search by this author);Ruiyang Shi (author) (Search by this author);Heng Liu (author) (Search by this author);Wenjun Ding (author) (Search by this author);Jiahang Fan (author) (Search by this author);Binghui Zhou (author) (Search by this author)Bo Da (author) (Search by this author)National Institute for Materials Science
;
;Zhengyang Gao (author) (Search by this author);Hao Li (author) (Search by this author)Weijie Yang (author) (Search by this author)
- Keyword
- High-Performance Catalysts
- Date published
- 2025-03-13
- Updated at
- 2025-12-19 16:30:28 +0900
Open electrolyte database generated via an automated molecular dynamics simulation framework
- Journal article
- Creator
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;Kou Nakamura (author) (Search by this author);Norio Takenaka (author) (Search by this author);Masatoshi Hanai (author) (Search by this author);Yuna Oikawa (author) (Search by this author)Ryo Tamura (author) (Search by this author)National Institute for Materials Science
;
Koji Tsuda (author) (Search by this author)National Institute for Materials Science
;
;Masanobu Nakayama (author) (Search by this author);Junichiro Shiomi (author) (Search by this author)Atsuo Yamada (author) (Search by this author)
- Keyword
- electrolyte database, AI
- Date published
- 2026-04-20
- Updated at
- 2026-09-24 09:16:02 +0900
Simultaneous achievement of large anomalous Nernst effect and reduced thermal conductivity in sintered polycrystalline topological Heusler ferromagnets
- Journal article
- Creator
-
Koichi Oyanagi (author) (Search by this author)
https://orcid.org/0000-0001-8784-078X
(unauthenticated)
;
Hossein Sepehri-Amin (author) (Search by this author)
;
;Kenta Takamori (author) (Search by this author)Terumasa Tadano (author) (Search by this author)
;
;Takumi Imamura (author) (Search by this author);Ren Nagasawa (author) (Search by this author)Krishnan Mahalingam (author) (Search by this author)
https://orcid.org/0000-0002-0075-3657
(unauthenticated)
;
Takamasa Hirai (author) (Search by this author)
;
Fuyuki Ando (author) (Search by this author)
;
Yuya Sakuraba (author) (Search by this author)
;
Satoru Kobayashi (author) (Search by this author)
https://orcid.org/0000-0002-3545-2977
(unauthenticated)
;
Ken-ichi Uchida (author) (Search by this author)
- Keyword
- Anomalous Nernst effect, Heusler alloy, Microstructure characterization, Thermoelectric materials, First-principles phonon calculation
- Date published
- 2025-06-09
- Updated at
- 2025-06-24 12:30:20 +0900