29 records found.
Automated synthesis and fragment descriptor-based machine learning for retention time prediction in supercritical fluid chromatography
- Journal article
- Creator
-
;Sitanan Sartyoungkul (author) (Search by this author);Balasubramaniyan Sakthivel (author) (Search by this author)Pavel Sidorov (author) (Search by this author)
https://orcid.org/0000-0001-6462-702X
(unauthenticated)
;
Yuuya Nagata (author) (Search by this author)
https://orcid.org/0000-0001-5926-5845
(unauthenticated)
- Keyword
- Automated synthesis, Fragment descriptor, Machine learning, Retention time prediction, Supercritical fluid chromatography
- Date published
- 2025-11-26
- Updated at
- 2025-12-24 15:05:55 +0900
MADGUI: Multi-Application Design Graphical User Interface for active learning assisted by Bayesian optimization
- Journal article
- Creator
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Christophe Bajan (author) (Search by this author)
;
Guillaume Lambard (author) (Search by this author)
- Keyword
- Graphical user interface, Statistical analysis, Machine learning, Bayesian optimization, Process optimization, User-friendly
- Date published
- 2025-01-21
- Updated at
- 2025-01-27 12:30:30 +0900
自律材料探索による磁性材料開発
- Journal article
- Creator
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岩崎 悠真 (author) (Search by this author)National Institute for Materials Science
- Keyword
- Machine learning, Materials Informatics
- Date published
- 2025-06-10
- Updated at
- 2025-12-12 08:30:25 +0900
Active learning for predicting the enthalpy of mixing in binary liquids based on ab initio molecular dynamics
- Journal article
- Creator
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Quentin Bizot (author) (Search by this author)
https://orcid.org/0000-0002-4314-2266
(unauthenticated)
;
Ryo Tamura (author) (Search by this author)
;
Guillaume Deffrennes (author) (Search by this author)
https://orcid.org/0000-0002-3752-2537
(unauthenticated)
- Keyword
- CALPHAD, Machine learning
- Date published
- 2026-02-07
- Updated at
- 2026-04-01 13:44:57 +0900
Determination of Stable Proton Configurations by Black-Box Optimization Using an Ising Machine
- Journal article
- Creator
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;Jianbo Lin (author) (Search by this author)Tomofumi Tada (author) (Search by this author)
https://orcid.org/0000-0003-3093-3779
(unauthenticated)
;
;Ai Koizumi (author) (Search by this author)Masato Sumita (author) (Search by this author)
https://orcid.org/0000-0002-3506-1028
(unauthenticated)
;
Koji Tsuda (author) (Search by this author)
;
Ryo Tamura (author) (Search by this author)
- Keyword
- Machine learning, Ising machine, Proton configuration
- Date published
- 2025-02-06
- Updated at
- 2025-05-23 08:30:18 +0900
Toward the Atomic-Level Analysis of Ground-State Electronic Structures of Solid Materials via Prediction from Core-Loss Spectra: A Computational Study in Si
- Journal article
- Creator
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;Izumi Takahara (author) (Search by this author)Fumihiko Uesugi (author) (Search by this author)National Institute for Materials Science
;
Koji Kimoto (author) (Search by this author)National Institute for Materials Science
;
;Kiyou Shibata (author) (Search by this author)Teruyasu Mizoguchi (author) (Search by this author)
- Keyword
- Machine learning, ELNES, XANES, PDOS
- Date published
- 2024-08-15
- Updated at
- 2024-10-02 12:30:19 +0900
Elemental Reactivity Maps for Materials Discovery
- Journal article
- Creator
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Yuki Inada (author) (Search by this author)
https://orcid.org/0000-0002-9104-1320
(unauthenticated)
;
Masaya Fujioka (author) (Search by this author)
https://orcid.org/0000-0002-5829-6591
(unauthenticated)
;
;Haruhiko Morito (author) (Search by this author)Tohru Sugahara (author) (Search by this author)
https://orcid.org/0000-0001-5842-5392
(unauthenticated)
;
Hisanori Yamane (author) (Search by this author)
https://orcid.org/0000-0002-7931-5210
(unauthenticated)
;
Yukari Katsura (author) (Search by this author)
- Keyword
- Crystal structure, Elements, Machine learning, Materials, Reactivity
- Date published
- 2025-03-25
- Updated at
- 2026-02-21 16:30:08 +0900
Process optimization on kesterite-based ceramics for enhancing their thermoelectric performances assisted by active machine learning approach: A tool for metal-sulfide ceramics development
- Journal article
- Creator
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Cédric Bourgès (author) (Search by this author)National Institute for Materials Science
;
Guillaume Lambard (author) (Search by this author)National Institute for Materials Science
;
Naoki Sato (author) (Search by this author)National Institute for Materials Science
;
Makoto Tachibana (author) (Search by this author)National Institute for Materials Science
;
Satoshi Ishii (author) (Search by this author)National Institute for Materials Science
;
Takao Mori (author) (Search by this author)National Institute for Materials Science
- Keyword
- Kesterite, Machine learning, Process, Thermoelectric, Ceramic
- Date published
- 2024-08-29
- Updated at
- 2024-09-20 16:30:30 +0900
Autonomous closed-loop exploration of composition-spread films for the anomalous Hall effect
- Journal article
- Creator
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Ryo Toyama (author) (Search by this author)
;
Ryo Tamura (author) (Search by this author)
;
Shoichi Matsuda (author) (Search by this author)
;
Yuma Iwasaki (author) (Search by this author)
;
Yuya Sakuraba (author) (Search by this author)
- Keyword
- Machine learning, Autonomous, Combinatorial, Anomalous Hall effect
- Date published
- 2025-11-19
- Updated at
- 2025-12-25 17:32:06 +0900
ALMLBO PIPELINE APPROACH APPLY TO MATERIAL PROCESS AND COMPOSITION OPTIMIZATION FOR ENERGY-SAVING APPLICATIONS
- Conference presentation
- Creator
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Cédric Bourgès (author) (Search by this author)International Center for Young Scientists, National Institute for Materials Science
;
Guillaume Lambard (author) (Search by this author)Center for Basic Research on Materials/Data-driven Materials Research Field/Data-driven Materials Design Group, National Institute for Materials Science
;
Naoki Sato (author) (Search by this author)Research Center for Materials Nanoarchitectonics (MANA)/Nanomaterials Field/Thermal Energy Materials Group, National Institute for Materials Science
;
Makoto Tachibana (author) (Search by this author)Research Center for Materials Nanoarchitectonics (MANA)/Nanomaterials Field/Thermal Energy Materials Group, National Institute for Materials Science
;
Satoshi Ishii (author) (Search by this author)Research Center for Materials Nanoarchitectonics (MANA)/Nanomaterials Field/Optical Nanostructure Team, National Institute for Materials Science
;
Takao Mori (author) (Search by this author)Research Center for Materials Nanoarchitectonics (MANA)/Nanomaterials Field/Thermal Energy Materials Group, National Institute for Materials Science
- Keyword
- Kesterite, Machine learning, Process, Thermoelectric, Ceramic
- Date published
- Updated at
- 2024-10-30 16:30:23 +0900