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7995 件のレコードが見つかりました。
On-the-fly training of polynomial machine learning potentials in computing lattice thermal conductivity
- ジャーナル論文
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science
;
Atsuto Seko (author) (この著者で検索) - キーワード
- Polynomial machine learning potential, Lattice thermal conductivity calculation
- 刊行年月日
- 2024-06-07
- 更新時刻
- 2024-08-29 16:30:19 +0900
Machine learning approach for the prediction of electron inelastic mean free paths
- ジャーナル論文
- 著者
-
;Xun Liu (author) (この著者で検索)National Institute for Materials Science;Lihao Yang (author) (この著者で検索);Zhufeng Hou (author) (この著者で検索)Bo Da (author) (この著者で検索)National Institute for Materials Science
;
Kenji Nagata (author) (この著者で検索)National Institute for Materials Science
;
Hideki Yoshikawa (author) (この著者で検索)National Institute for Materials Science
;
Shigeo Tanuma (author) (この著者で検索)National Institute for Materials Science
;
;Yang Sun (author) (この著者で検索)Zejun Ding (author) (この著者で検索)
- キーワード
- machine learning, inelastic mean free path
- 刊行年月日
- 2021-03-24
- 更新時刻
- 2024-01-05 22:13:49 +0900
Berry curvature induced intrinsic spin Hall effect in the light-element-based CrN system for magnetization switching
- ジャーナル論文
- 著者
-
;Gaurav K. Shukla (author) (この著者で検索)Prabhat Kumar (author) (この著者で検索)
https://orcid.org/0000-0003-3897-193X
(unauthenticated)
;
Shinji Isogami (author) (この著者で検索)
- キーワード
- Light element, Spin-orbit torque
- 刊行年月日
- 2025-07-25
- 更新時刻
- 2025-09-16 12:30:43 +0900
Computational material screening for electrode materials of BaSi2 solar cells
- ジャーナル論文
- 著者
-
;Tomoaki Yazaki (author) (この著者で検索)University of Yamanashi a Center for Crystal Science and Technology;Keisuke Arimoto (author) (この著者で検索);Junji Yamanaka (author) (この著者で検索)Kosuke O. Hara (author) (この著者で検索)
- キーワード
- Solar cells, metallic electrode, high-throughput virtual screening, work function, melting point, density functional theory
- 刊行年月日
- 2026-12-31
- 更新時刻
- 2026-03-07 12:30:04 +0900
LAX phases: A family of novel stable layered materials, informatics‐based discovery
- ジャーナル論文
- 著者
-
Ehsan Alibagheri (author) (この著者で検索)
https://orcid.org/0009-0001-3005-3088
(unauthenticated)
;
Mohammad Khazaei (author) (この著者で検索)
https://orcid.org/0000-0001-5093-1610
(unauthenticated)
;
Mehdi Estili (author) (この著者で検索)
;
;Alireza Seyfi (author) (この著者で検索)Hiroshi Mizoguchi (author) (この著者で検索)
;
;Kaoru Ohno (author) (この著者で検索)Hideo Hosono (author) (この著者で検索)
;
S. Mehdi Vaez Allaei (author) (この著者で検索)
https://orcid.org/0000-0002-4713-3818
(unauthenticated)
- キーワード
- evolutionary algorithm, LAX phases, machine learning, materials discovery, materials informatics, MAX phases
- 刊行年月日
- 2025-02-17
- 更新時刻
- 2025-02-23 22:51:28 +0900
Theoretical investigation of oxidation mechanism in Ti and its alloys
- プロシーディングス論文
- 著者
-
Ryoji Sahara (author) (この著者で検索)National Institute for Materials Science Research Center for Structural Materials/Materials Evaluation Field/Computational Structural Materials Group
;
;Somesh Kr. Bhattacharya (author) (この著者で検索)National Institute for Materials Science Research Center for Structural Materials/Design and Producing Field/Computational Structural Materials Group;Kanika Kohli (author) (この著者で検索)Indian Institute of Science Education and Research Pune;Prasenjit Ghosh (author) (この著者で検索)Indian Institute of Science Education and Research Pune;Kyosuke Ueda (author) (この著者で検索)Tohoku Univ.Takayuki Narushima (author) (この著者で検索)Tohoku Univ.
- キーワード
- high temperature oxidation, parabolic rate constant, first principles calculations, machine learning, electronegativity
- 刊行年月日
- 更新時刻
- 2024-10-18 16:30:37 +0900
Dielectric tensor of perovskite oxides at finite temperature using equivariant graph neural network potentials
- ジャーナル論文
- 著者
-
;Alex Kutana (author) (この著者で検索)Nagoya University;Koki Yoshimochi (author) (この著者で検索)Ryoji Asahi (author) (この著者で検索)
- キーワード
- Graph neural network, machine learning, dielectrics, perovskite oxides, phase transitions
- 刊行年月日
- 2025-12-31
- 更新時刻
- 2025-07-18 10:24:15 +0900
Designing composition ratio of magnetic alloy multilayer for transverse thermoelectric conversion by Bayesian optimization
- ジャーナル論文
- 著者
-
Naoki Chiba (author) (この著者で検索)
https://orcid.org/0009-0003-0296-9026
(unauthenticated)
National Institute for Materials Science
;
Keisuke Masuda (author) (この著者で検索)National Institute for Materials Science
;
Ken-ichi Uchida (author) (この著者で検索)National Institute for Materials Science
;
Yoshio Miura (author) (この著者で検索)National Institute for Materials Science
- キーワード
- Spin-orbit interactions, First-principle calculations, Superlattices, Informatics, Machine learning, Ferromagnetic materials, Multilayers, Thermoelectric effects
- 刊行年月日
- 2023-06-01
- 更新時刻
- 2024-05-25 08:30:17 +0900
Lattice Softening and Band Convergence in GeTe-Based Alloys for High Thermoelectric Performance
- ジャーナル論文
- 著者
-
Song Yi Back (author) (この著者で検索)National Institute for Materials Science
;
;Hyunyong Cho (author) (この著者で検索)National Institute for Materials Science;Wenhao Zhang (author) (この著者で検索)National Institute for Materials ScienceTakao Mori (author) (この著者で検索)National Institute for Materials Science
;
Jong-Soo Rhyee (author) (この著者で検索)
- キーワード
- thermoelectric
- 刊行年月日
- 2024-09-04
- 更新時刻
- 2024-10-07 14:41:35 +0900
From Random Networks to AI-Driven Glass Design
- プレゼンテーション
- 著者
-
N. M. Anoop Krishnan (author) (この著者で検索)Indian Institute of Technology Delhi Department of Civil Engineering
- キーワード
- Machine learning, AI-Driven Glass Design
- 刊行年月日
- 更新時刻
- 2025-09-25 16:30:42 +0900