3 records found.
Dual medium-range order structures in Zr80Pt20 metallic glasses
- Conference poster
- Creator
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;Siyuan Zha (author) (Search by this author)Department of Materials Science, Waseda UniversityAkihiko Hirata (author) (Search by this author)Department of Materials Science, Waseda University
- Keyword
- metallic glass, medium-range order, molecular dynamics simulation
- Date published
- Updated at
- 2025-09-26 08:30:18 +0900
Scaling Law of Sim2Real transfer learning in expanding computational materials databases for real-world predictions
- Journal article
- Creator
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Shunya Minami (author) (Search by this author)
https://orcid.org/0000-0002-3566-817X
(unauthenticated)
;
Yoshihiro Hayashi (author) (Search by this author)
https://orcid.org/0000-0002-7650-4083
(unauthenticated)
;
Stephen Wu (author) (Search by this author)
https://orcid.org/0000-0002-7847-8106
(unauthenticated)
;
;Kenji Fukumizu (author) (Search by this author);Hiroki Sugisawa (author) (Search by this author)Masashi Ishii (author) (Search by this author)
;
Isao Kuwajima (author) (Search by this author)
;
;Kazuya Shiratori (author) (Search by this author)Ryo Yoshida (author) (Search by this author)
https://orcid.org/0000-0001-8092-0162
(unauthenticated)
- Keyword
- molecular dynamics simulation, scaling law of simulation- to-real, Sim2Real, transfer learning, PoLyInfo
- Date published
- 2025-05-24
- Updated at
- 2025-06-13 16:30:25 +0900
2023 Roadmap on molecular modelling of electrochemical energy materials
- Journal article
- Creator
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;Chao Zhang (author) (Search by this author);Jun Cheng (author) (Search by this author);Yiming Chen (author) (Search by this author);Maria K Y Chan (author) (Search by this author);Qiong Cai (author) (Search by this author);Rodrigo P Carvalho (author) (Search by this author);Cleber F N Marchiori (author) (Search by this author);Daniel Brandell (author) (Search by this author);C Moyses Araujo (author) (Search by this author);Ming Chen (author) (Search by this author);Xiangyu Ji (author) (Search by this author);Guang Feng (author) (Search by this author);Kateryna Goloviznina (author) (Search by this author);Alessandra Serva (author) (Search by this author);Mathieu Salanne (author) (Search by this author)Toshihiko Mandai (author) (Search by this author)National Institute for Materials Science (NIMS)
;
;Tomooki Hosaka (author) (Search by this author);Mirna Alhanash (author) (Search by this author);Patrik Johansson (author) (Search by this author);Yun-Ze Qiu (author) (Search by this author);Hai Xiao (author) (Search by this author);Michael Eikerling (author) (Search by this author);Ryosuke Jinnouchi (author) (Search by this author);Marko M Melander (author) (Search by this author);Georg Kastlunger (author) (Search by this author);Assil Bouzid (author) (Search by this author);Alfredo Pasquarello (author) (Search by this author);Seung-Jae Shin (author) (Search by this author);Minho M Kim (author) (Search by this author);Hyungjun Kim (author) (Search by this author);Kathleen Schwarz (author) (Search by this author)Ravishankar Sundararaman (author) (Search by this author)
- Keyword
- electrochemical interfaces, density-functional theory, molecular dynamics simulation, electrochemical energy storage, machine learning, electrocatalysis
- Date published
- 2023-10-01
- Updated at
- 2024-03-22 00:53:39 +0900