Keyword: Machine learning

6 records found.

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

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

Improving efficiency of autonomous material search via transfer learning from nontarget properties (2).pdf
Improving efficiency of autonomous material search via transfer learning from nontarget properties
Journal article
Creator
Jaekyun Hwang (author) (Search by this author)
National Institute for Materials Science
;
Yuma Iwasaki (author) (Search by this author)
ORCID SAMURAI
Keyword
Machine learning
Date published
2023-12-31
Updated at
2024-01-05 22:11:31 +0900

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