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Construction of an Interpretable Regression Model for Yield Prediction and Mechanistic Insight Enabled by Automated Reaction Path Exploration
- ジャーナル論文
- 著者
-
;Takahiro Doba (author) (この著者で検索);Yu Harabuchi (author) (この著者で検索)Yuuya Nagata (author) (この著者で検索)
https://orcid.org/0000-0001-5926-5845
(unauthenticated)
National Institute for Materials Science
;
Satoshi Maeda (author) (この著者で検索) - キーワード
- Automated Reaction Path Exploration, Interpretable Machine Learning, Reaction Yield Prediction, Reaction Mechanism Elucidation, Quantum Chemical Calculations
- 刊行年月日
- 2026-07-01
- 更新時刻
- 2026-11-02 15:10:20 +0900
Reprogramming RiPP scaffolds through skeletal editing unlocks chemical space
- ジャーナル論文
- 著者
-
;Hiroshige Ogawa (author) (この著者で検索);Longhui Yu (author) (この著者で検索);Shangzhao Li (author) (この著者で検索)Yuuya Nagata (author) (この著者で検索)
https://orcid.org/0000-0001-5926-5845
(unauthenticated)
National Institute for Materials Science
;
;Tsz Ki Chan (author) (この著者で検索);Yudai Matsuda (author) (この著者で検索);Jing Liu (author) (この著者で検索);Yong-Xin Li (author) (この著者で検索)Hugh Nakamura (author) (この著者で検索)
- キーワード
- Ribosomally Synthesized and Post-translationally Modified Peptides, Skeletal Editing, Scaffold Hopping, Larock Macrocyclization, C–H Arylation
- 刊行年月日
- 2026-05-26
- 更新時刻
- 2026-11-02 14:32:55 +0900
Magnetization due to localized states on graphene grain boundary
- ジャーナル論文
- 著者
-
;Sudipta Dutta (author) (この著者で検索)Katsunori Wakabayashi (author) (この著者で検索)
https://orcid.org/0000-0002-9147-9939
(unauthenticated)
National Institute for Materials Science
- キーワード
- graphene, grain boundary, magnetism, point defect, localized states, first-principles calculation, chemical vapor deposition
- 刊行年月日
- 2015-07-06
- 更新時刻
- 2026-11-02 13:13:02 +0900
Long-term Creep Strength Properties of High Strength Austenitic Heat-resistant Steels
- ジャーナル論文
- 著者
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Kota Sawada (author) (この著者で検索)
;
Yasushi Taniuchi (author) (この著者で検索)
;
Takehiro Nojima (author) (この著者で検索)
;
Kaoru Sekido (author) (この著者で検索)
;
Tomotaka Hatakeyama (author) (この著者で検索)
;
Kazuhiro Kimura (author) (この著者で検索)
- キーワード
- high strength austenitic heat-resistant steels, tensile properties, long-term creep rupture strength, creep rupture ductility
- 刊行年月日
- 2026-11-01
- 更新時刻
- 2026-11-02 11:07:55 +0900
Update of PHYSBO: Improving usability and portability of Bayesian optimization for physics and materials research
- ジャーナル論文
- 著者
-
Yuichi Motoyama (author) (この著者で検索)
https://orcid.org/0000-0001-8271-3327
(unauthenticated)
;
;Kazuyoshi Yoshimi (author) (この著者で検索);Tatsumi Aoyama (author) (この著者で検索);Kei Terayama (author) (この著者で検索)Koji Tsuda (author) (この著者で検索)
;
Ryo Tamura (author) (この著者で検索)
- キーワード
- Bayesian optimization, Research software
- 刊行年月日
- 2026-08-29
- 更新時刻
- 2026-11-02 10:40:13 +0900
Kinetic Monte Carlo–Ising Machine Optimization for Atomistic Inverse Design of Solid Electrolytes
- ジャーナル論文
- 著者
-
Ai Koizumi (author) (この著者で検索)
https://orcid.org/0000-0003-4609-4586
(unauthenticated)
;
Tomofumi Tada (author) (この著者で検索)
https://orcid.org/0000-0003-3093-3779
(unauthenticated)
;
Ryo Tamura (author) (この著者で検索)
- キーワード
- Ionic conductivity, Optimization
- 刊行年月日
- 2026-09-17
- 更新時刻
- 2026-11-02 10:18:46 +0900
Development of an automated evaluation system for the process–structure–property relationship of structural metallic materials towards autonomous exploration
- ジャーナル論文
- 著者
-
Yulin Xie (author) (この著者で検索)
https://orcid.org/0000-0002-6555-7171
(unauthenticated)
;
;Sayaka Sekida (author) (この著者で検索);Masaya Inakawa (author) (この著者で検索)Ryo Tamura (author) (この著者で検索)
;
Tadashi Furuhara (author) (この著者で検索)
https://orcid.org/0000-0002-7445-1264
(unauthenticated)
;
Goro Miyamoto (author) (この著者で検索)
- キーワード
- Automated experiment, structural materials
- 刊行年月日
- 2026-12-31
- 更新時刻
- 2026-11-02 10:15:19 +0900
Subsonic phase front propagation in martensitic transitions of 1,2,4,5-tetrabromobenzene single crystals
- ジャーナル論文
- 著者
-
Ken Takazawa (author) (この著者で検索)
;
Jun-ichi Inoue (author) (この著者で検索)
- キーワード
- Organic crystal, Phase transition, Thermosalient effect, Phase front, Solitary wave
- 刊行年月日
- 2026-07-07
- 更新時刻
- 2026-11-02 09:53:35 +0900