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
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)
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
-
;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
Phase-separation induced dislocation-network cellular structures in Ti-Zr-Nb-Mo-Ta high-entropy alloy processed by laser powder bed fusion
- Journal article
- Creator
-
;Han Chen (author) (Search by this author);Daisuke Egusa (author) (Search by this author);Zehao Li (author) (Search by this author)National Institute for Materials ScienceTaisuke Sasaki (author) (Search by this author)National Institute for Materials Science
;
;Ryosuke Ozasa (author) (Search by this author);Takuya Ishimoto (author) (Search by this author);Masayuki Okugawa (author) (Search by this author);Yuichiro Koizumi (author) (Search by this author);Takayoshi Nakano (author) (Search by this author)Eiji Abe (author) (Search by this author)
- Keyword
- High-entropy alloy, Laser powder bed fusion, Cellular structure, Phase separation, Dislocation-network, Electron microscopy, Machine learning
- Date published
- 2025-03-12
- Updated at
- 2025-04-08 13:16:16 +0900
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
;
;Koji Shimizu (author) (Search by this author)Satoshi Watanabe (author) (Search by this author)
https://orcid.org/0000-0002-8069-6938
(unauthenticated)
National Institute for Materials Science
- 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
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
;
A. Bolyachkin (author) (Search by this author)National Institute for Materials Science
;
I. Suzuki (author) (Search by this author)
https://orcid.org/0000-0002-8932-8226
(unauthenticated)
National Institute for Materials Science
;
Y.K. Takahashi (author) (Search by this author)National Institute for Materials Science
;
H. Sepehri-Amin (author) (Search by this author)National Institute for Materials Science
;
K. Hono (author) (Search by this author)National Institute for Materials Science
- 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
Automated odor-blending with one-pot Bayesian optimization
- Journal article
- Creator
-
;Yota Fukui (author) (Search by this author)Kosuke Minami (author) (Search by this author)National Institute for Materials Science
;
Kota Shiba (author) (Search by this author)National Institute for Materials Science
;
Genki Yoshikawa (author) (Search by this author)National Institute for Materials Science
;
Koji Tsuda (author) (Search by this author)National Institute for Materials Science
;
Ryo Tamura (author) (Search by this author)National Institute for Materials Science
- Keyword
- Machine learning, MSS, Bayesian optimization, Olfactory sensor
- Date published
- 2024-04-16
- Updated at
- 2024-06-10 12:30:19 +0900
In Situ Forming Supramolecular Nanofiber Hydrogel as a Biodegradable Liquid Embolic Agent for Postembolization Tissue Remodeling
- Journal article
- Creator
-
Akihiro Nishiguchi (author) (Search by this author)National Institute for Materials Science
;
;Miho Ohta (author) (Search by this author)Debabrata Palai (author) (Search by this author)National Institute for Materials Science
;
Shima Ito (author) (Search by this author)National Institute for Materials Science
;
;Kensaku Mori (author) (Search by this author);Ryotaro Akagi (author) (Search by this author)Christophe Bajan (author) (Search by this author)National Institute for Materials Science
;
Guillaume Lambard (author) (Search by this author)National Institute for Materials Science
;
Keitaro Sodeyama (author) (Search by this author)National Institute for Materials Science
;
Tetsushi Taguchi (author) (Search by this author)National Institute for Materials Science
- Keyword
- Hydrogel, Embolic agent, Machine learning
- Date published
- 2024-11-07
- Updated at
- 2025-02-26 16:30:29 +0900
Autonomous search for half-metallic materials with B 2 structure
- Journal article
- Creator
-
Yuma Iwasaki (author) (Search by this author)
;
Ryo Toyama (author) (Search by this author)
;
Takahiro Yamazaki (author) (Search by this author)
https://orcid.org/0000-0003-0738-9373
(unauthenticated)
;
Yasuhiko Igarashi (author) (Search by this author)
https://orcid.org/0000-0003-1042-6657
(unauthenticated)
;
Masato Kotsugi (author) (Search by this author)
https://orcid.org/0000-0002-4841-1808
(unauthenticated)
;
Yuya Sakuraba (author) (Search by this author)
- Keyword
- Machine learning, Autonomous, ab initio, Half metal
- Date published
- 2024-12-31
- Updated at
- 2024-10-04 08:30:32 +0900
From Random Networks to AI-Driven Glass Design
- Conference presentation
- Creator
-
N. M. Anoop Krishnan (author) (Search by this author)Department of Civil Engineering, Indian Institute of Technology Delhi
- Keyword
- Machine learning, AI-Driven Glass Design
- Date published
- Updated at
- 2025-09-25 16:30:42 +0900