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
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;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)
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;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
Finite-temperature ab initio structural optimization of the bilayer nickelate superconductor
- ジャーナル論文
- 著者
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;Ryoma Asai (author) (この著者で検索);Ryotaro Arita (author) (この著者で検索);Takumi Chida (author) (この著者で検索);Ryota Masuki (author) (この著者で検索);Kazuhiko Kuroki (author) (この著者で検索)Terumasa Tadano (author) (この著者で検索)National Institute for Materials Science
- キーワード
- La3Ni2O7, Phonon, Structural phase transition
- 刊行年月日
- 2026-08-10
- 更新時刻
- 2026-10-19 08:41:48 +0900
Phono3py input data to calculate lattice thermal conductivities for zincblende-ZnTe (PBE)
- 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 (PBE)
- 著者
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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, zincblende-ZnTe
- 刊行年月日
- 更新時刻
- 2025-10-27 16:31:42 +0900
Phono3py input data to calculate lattice thermal conductvities for zincblende-CdTe
- 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
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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, zincblende-CdTe
- 刊行年月日
- 更新時刻
- 2024-01-28 16:19:34 +0900
Phono3py input data to calculate lattice thermal conductvities for zincblende-BeTe
- 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
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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, zincblende-BeTe
- 刊行年月日
- 更新時刻
- 2024-01-28 16:19:31 +0900
Phono3py input data to calculate lattice thermal conductivities for zincblende-ZnO (PBE)
- 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 (PBE)
- 著者
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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, zincblende-ZnO
- 刊行年月日
- 更新時刻
- 2025-10-27 16:34:20 +0900
Phono3py input data to calculate lattice thermal conductivities for zincblende-InAs (PBE)
- 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 (PBE)
- 著者
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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, zincblende-InAs
- 刊行年月日
- 更新時刻
- 2025-10-27 16:34:18 +0900
Phono3py input data to calculate lattice thermal conductivities for zincblende-GaP (PBE)
- 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 (PBE)
- 著者
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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, zincblende-GaP
- 刊行年月日
- 更新時刻
- 2025-10-27 16:34:12 +0900
Phono3py input data to calculate lattice thermal conductivities for zincblende-CdSe (PBE)
- 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 (PBE)
- 著者
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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, zincblende-CdSe
- 刊行年月日
- 更新時刻
- 2025-10-27 16:34:41 +0900
Phono3py input data to calculate lattice thermal conductivities for zincblende-AlP (PBE)
- 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 (PBE)
- 著者
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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, zincblende-AlP
- 刊行年月日
- 更新時刻
- 2025-10-27 16:34:31 +0900