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Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations
- Journal article
- Creator
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;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
Ab-initio phonon calculation for BeF2 / P6_222 (180) / materials id 558118
- Dataset
- Collection
- MDR phonon calculation database
- Creator
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Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, BeF2, P6_222 (180)
- Date published
- Updated at
- 2023-05-14 18:56:20 +0900
Ab-initio phonon calculation for AlPO4 / P6_422 (181) / materials id 560151
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, AlPO4, P6_422 (181)
- Date published
- Updated at
- 2023-05-14 18:50:01 +0900
Ab-initio phonon calculation for LiAlSiO4 / P6_422 (181) / materials id 6327
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, LiAlSiO4, P6_422 (181)
- Date published
- Updated at
- 2023-05-14 18:57:42 +0900
Ab-initio phonon calculation for LiAlSiO4 / P6_222 (180) / materials id 558713
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, LiAlSiO4, P6_222 (180)
- Date published
- Updated at
- 2023-05-14 18:57:38 +0900
Ab-initio phonon calculation for SiO2 / P6_222 (180) / materials id 6922
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, SiO2, P6_222 (180)
- Date published
- Updated at
- 2023-05-14 18:59:50 +0900
Ab-initio phonon calculation for SiO2 / P6_422 (181) / materials id 10851
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, SiO2, P6_422 (181)
- Date published
- Updated at
- 2023-05-14 18:32:22 +0900
Ab-initio phonon calculation for CsLi(H2N)2 / P6_222 (180) / materials id 642740
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, CsLi(H2N)2, P6_222 (180)
- Date published
- Updated at
- 2023-05-14 18:59:02 +0900
Ab-initio phonon calculation for CsClO4 / F-43m (216) / materials id 546711
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, CsClO4, F-43m (216)
- Date published
- Updated at
- 2023-05-14 18:49:55 +0900
Ab-initio phonon calculation for AuF3 / P6_122 (178) / materials id 942
- Dataset
- Collection
- MDR phonon calculation database
- Creator
-
Atsushi Togo (author) (Search by this author)MaDIS, National Institute for Materials Science
- Keyword
- Phonon, AuF3, P6_122 (178)
- Date published
- Updated at
- 2023-05-14 19:00:47 +0900