4 records found.
Accurate screening of functional materials with machine-learning potential and transfer-learned regressions: Heusler alloy benchmark
- Journal article
- Creator
-
Enda Xiao (author) (Search by this author)
https://orcid.org/0000-0002-4372-1575
(unauthenticated)
;
Terumasa Tadano (author) (Search by this author)
- Keyword
- Heusler alloys, Machine-learning potential, Transfer learning, First-principles calculation, Curie temperature, Magnetic anisotropy energy
- Date published
- 2026-02-19
- Updated at
- 2026-03-30 13:06:06 +0900
Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations
- Journal article
- Creator
-
;Masato Ohnishi (author) (Search by this author);Tianqi Deng (author) (Search by this author);Pol Torres (author) (Search by this author);Zhihao Xu (author) (Search by this author)Terumasa Tadano (author) (Search by this author)
;
;Haoming Zhang (author) (Search by this author);Wei Nong (author) (Search by this author);Masatoshi Hanai (author) (Search by this author);Zeyu Wang (author) (Search by this author);Michimasa Morita (author) (Search by this author);Zhiting Tian (author) (Search by this author);Ming Hu (author) (Search by this author);Xiulin Ruan (author) (Search by this author);Ryo Yoshida (author) (Search by this author);Toyotaro Suzumura (author) (Search by this author);Lucas Lindsay (author) (Search by this author);Alan J. H. McGaughey (author) (Search by this author);Tengfei Luo (author) (Search by this author);Kedar Hippalgaonkar (author) (Search by this author)Junichiro Shiomi (author) (Search by this author)
- Keyword
- Thermal conductivity, Phonon, First-principles calculation
- Date published
- 2026-04-13
- Updated at
- 2026-05-12 08:46:56 +0900
First-principles prediction of supported metal nanoparticle structures based on Wulff–Winterbottom construction
- Journal article
- Creator
-
;Miyu Onishi (author) (Search by this author);Ayako Nakata (author) (Search by this author)Hiromi Nakai (author) (Search by this author)
- Keyword
- Metal nanoparticles, First-principles calculation, Wulff construction, Winterbottom construction, Surface energy
- Date published
- 2026-07-02
- Updated at
- 2026-07-09 08:30:12 +0900
Structure Prediction of Metal Nanoparticles Using Wulff Theorem and First Principles Calculation
- Journal article
- Creator
-
;Miyu ONISHI (author) (Search by this author);Shota OHNO (author) (Search by this author)Ayako NAKATA (author) (Search by this author)
;
Hiromi NAKAI (author) (Search by this author)
- Keyword
- Metal nanoparticle, Wulff construction, First-principles calculation, Surface energy, Plane index
- Date published
- 2024-10-17
- Updated at
- 2024-12-10 16:54:11 +0900