Keyword: Machine learning
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18 records found.

Manuscript_final.pdf
Elemental Reactivity Maps for Materials Discovery
Journal article
Creator
Yuki Inada (author) (Search by this author)
ORCID ;
Masaya Fujioka (author) (Search by this author)
ORCID ;
Haruhiko Morito (author) (Search by this author)
;
Tohru Sugahara (author) (Search by this author)
ORCID ;
Hisanori Yamane (author) (Search by this author)
ORCID ; ORCID SAMURAI
Keyword
Crystal structure, Elements, Machine learning, Materials, Reactivity
Date published
2025-03-25
Updated at
2026-02-21 16:30:08 +0900
Fujii-DigitalDiscovery2025.pdf
A straightforward gradient-based approach for designing superconductors with high critical temperature: exploiting domain knowledge via adaptive constraints
Journal article
Creator
Akihiro Fujii (author) (Search by this author)
;
Anh Khoa Augustin Lu (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Koji Shimizu (author) (Search by this author)
;
Satoshi Watanabe (author) (Search by this author)
National Institute for Materials Science
ORCID
Keyword
Gradient-based optimization, Superconductor, Domain knowledge integration, Materials discovery, Critical temperature, Machine learning
Date published
2025-10-29
Updated at
2026-05-18 14:53:14 +0900
takahara-et-al-2024-toward-the-atomic-level-analysis-of-ground-state-electronic-structures-of-solid-materials-via.pdf
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
Izumi Takahara (author) (Search by this author)
;
Fumihiko Uesugi (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Koji Kimoto (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
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
D5DD00437C.pdf
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)
ORCID ;
Yuuya Nagata (author) (Search by this author)
ORCID
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
1-s2.0-S092702562600087X-main.pdf
Active learning for predicting the enthalpy of mixing in binary liquids based on ab initio molecular dynamics
Journal article
Creator
Quentin Bizot (author) (Search by this author)
ORCID ; ORCID SAMURAI ;
Guillaume Deffrennes (author) (Search by this author)
ORCID
Keyword
CALPHAD, Machine learning
Date published
2026-02-07
Updated at
2026-04-01 13:44:57 +0900
Prediction_and_optimization_of_epoxy_adhesive_strength_from_a_small_dataset_through_active_learning.pdf
Prediction and optimization of epoxy adhesive strength from a small dataset through active learning
Journal article
Creator
ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI ;
Pruksawan, Sirawit (author) (Search by this author)
ORCID ; ORCID SAMURAI
Keyword
active learning, Machine learning, adhesive
Date published
2019-12-31
Updated at
2024-01-05 22:11:50 +0900
Autonomous search for half-metallic materials with B2 structure.pdf
Autonomous search for half-metallic materials with B 2 structure
Journal article
Creator
ORCID SAMURAI ; ORCID SAMURAI ;
Takahiro Yamazaki (author) (Search by this author)
ORCID ;
Yasuhiko Igarashi (author) (Search by this author)
ORCID ;
Masato Kotsugi (author) (Search by this author)
ORCID ; ORCID SAMURAI
Keyword
Machine learning, Autonomous, ab initio, Half metal
Date published
2024-12-31
Updated at
2024-10-04 08:30:32 +0900
s41524-025-01757-5 (2).pdf
High-throughput materials exploration system for the anomalous Hall effect using combinatorial experiments and machine learning
Journal article
Creator
ORCID SAMURAI ; ORCID SAMURAI ; ORCID ; ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI
Keyword
Machine learning, High-throughput, Combinatorial, Anomalous Hall effect
Date published
2025-09-03
Updated at
2025-12-26 13:11:05 +0900
Manuscript.pdf
Data-driven optimization of FePt heat-assisted magnetic recording media accelerated by deep learning TEM image segmentation
Journal article
Creator
N. Kulesh (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
A. Bolyachkin (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
I. Suzuki (author) (Search by this author)
National Institute for Materials Science
ORCID ;
Y.K. Takahashi (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
H. Sepehri-Amin (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
K. Hono (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI
Keyword
Heat-assisted magnetic recording (HAMR), FePt, Deep learning, Machine learning, Image segmentation
Date published
2023-05-27
Updated at
2025-05-27 08:30:20 +0900
s41524-025-01828-7.pdf
Autonomous closed-loop exploration of composition-spread films for the anomalous Hall effect
Journal article
Creator
ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI
Keyword
Machine learning, Autonomous, Combinatorial, Anomalous Hall effect
Date published
2025-11-19
Updated at
2025-12-25 17:32:06 +0900