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Optical atomic switch utilizing a molecular junction
- ジャーナル論文
- 著者
-
;Risako Hamase (author) (この著者で検索);Kanji Homma (author) (この著者で検索)Tomoaki Nishino (author) (この著者で検索)
https://orcid.org/0000-0002-6691-5831
(unauthenticated)
;
Kazuhito Tsukagoshi (author) (この著者で検索)
;
Satoshi Kaneko (author) (この著者で検索)
https://orcid.org/0000-0002-0351-6681
(unauthenticated)
- キーワード
- Optical atomic switch, molecular junction
- 刊行年月日
- 2025-12-10
- 更新時刻
- 2026-02-11 08:30:34 +0900
Efficient autonomous material search method combining ab initio calculations, autoencoder, and multi-objective Bayesian optimization
- ジャーナル論文
- 著者
-
Yuma Iwasaki (author) (この著者で検索)
;
Hwang Jaekyun (author) (この著者で検索)
https://orcid.org/0000-0002-1792-0044
(unauthenticated)
;
Yuya Sakuraba (author) (この著者で検索)
;
Masato Kotsugi (author) (この著者で検索)
https://orcid.org/0000-0002-4841-1808
(unauthenticated)
;
Yasuhiko Igarashi (author) (この著者で検索)
https://orcid.org/0000-0003-1042-6657
(unauthenticated)
- キーワード
- autonomous materials search, ab-initio, Machine learning
- 刊行年月日
- 2022-12-31
- 更新時刻
- 2024-01-05 22:14:05 +0900
Cutting nanodisks in graphene down to 20 nm in diameter
- ジャーナル論文
- 著者
-
Makoto Sakurai (author) (この著者で検索)National Institute for Materials Science
;
;Ayako Omura Okano (author) (この著者で検索)Takuya Iwasaki (author) (この著者で検索)National Institute for Materials Science
;
Christian Joachim (author) (この著者で検索)National Institute for Materials Science
- キーワード
- Focused He Ion beam
- 刊行年月日
- 2024-07-29
- 更新時刻
- 2025-05-16 08:30:30 +0900
Phono3py input data to calculate lattice thermal conductvities for wurtzite-CuI
- データセット
- コレクション
- Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Phonon, wurtzite-CuI
- 刊行年月日
- 更新時刻
- 2024-01-28 16:18:15 +0900
Phono3py input data to calculate lattice thermal conductvities for wurtzite-CuH
- データセット
- コレクション
- Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Phonon, wurtzite-CuH
- 刊行年月日
- 更新時刻
- 2024-01-28 16:17:47 +0900
Phono3py input data to calculate lattice thermal conductvities for wurtzite-CuCl
- データセット
- コレクション
- Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Phonon, wurtzite-CuCl
- 刊行年月日
- 更新時刻
- 2024-01-28 16:17:42 +0900
Phono3py input data to calculate lattice thermal conductvities for wurtzite-CuBr
- データセット
- コレクション
- Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Phonon, wurtzite-CuBr
- 刊行年月日
- 更新時刻
- 2024-01-28 16:17:38 +0900
Atomistic study on effects of solute atoms on energy profile of edge dislocation mobility in FCC-Cu alloys
- ジャーナル論文
- 著者
-
;Chiharu Kura (author) (この著者で検索)Masato Wakeda (author) (この著者で検索)National Institute for Materials Science
;
;Kazushi Hayashi (author) (この著者で検索)Takahito Ohmura (author) (この著者で検索)National Institute for Materials Science
- キーワード
- Cu, edge dislocation, energy profile, solute atoms, atomistic study
- 刊行年月日
- 2024-01-29
- 更新時刻
- 2026-01-29 16:30:07 +0900
Understanding the evolution of a de novo molecule generator via characteristic functional group monitoring
- ジャーナル論文
- 著者
-
Takehiro Fujita (author) (この著者で検索)National Institute for Materials Science
;
;Kei Terayama (author) (この著者で検索);Masato Sumita (author) (この著者で検索)Ryo Tamura (author) (この著者で検索)National Institute for Materials Science
;
Yasuyuki Nakamura (author) (この著者で検索)National Institute for Materials Science
;
Masanobu Naito (author) (この著者で検索)National Institute for Materials Science
;
Koji Tsuda (author) (この著者で検索)
- キーワード
- characteristic functional group monitoring, chromophore, De novo molecule generation, deep learning
- 刊行年月日
- 2022-12-31
- 更新時刻
- 2024-01-05 22:13:36 +0900
Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations
- ジャーナル論文
- 著者
-
;Masato Ohnishi (author) (この著者で検索);Tianqi Deng (author) (この著者で検索);Pol Torres (author) (この著者で検索);Zhihao Xu (author) (この著者で検索)Terumasa Tadano (author) (この著者で検索)
;
;Haoming Zhang (author) (この著者で検索);Wei Nong (author) (この著者で検索);Masatoshi Hanai (author) (この著者で検索);Zeyu Wang (author) (この著者で検索);Michimasa Morita (author) (この著者で検索);Zhiting Tian (author) (この著者で検索);Ming Hu (author) (この著者で検索);Xiulin Ruan (author) (この著者で検索);Ryo Yoshida (author) (この著者で検索);Toyotaro Suzumura (author) (この著者で検索);Lucas Lindsay (author) (この著者で検索);Alan J. H. McGaughey (author) (この著者で検索);Tengfei Luo (author) (この著者で検索);Kedar Hippalgaonkar (author) (この著者で検索)Junichiro Shiomi (author) (この著者で検索)
- キーワード
- Thermal conductivity, Phonon, First-principles calculation
- 刊行年月日
- 2026-04-13
- 更新時刻
- 2026-05-12 08:46:56 +0900