Phonon Olympics: Phonon property and lattice thermal conductivity benchmarking from open-source packages
- ジャーナル論文
- 著者
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Alan J. H. McGaughey (author) (この著者で検索)
https://orcid.org/0000-0002-0118-6893
(unauthenticated)
;
Lucas Lindsay (author) (この著者で検索)
https://orcid.org/0000-0001-9645-7993
(unauthenticated)
;
Hua Bao (author) (この著者で検索)
https://orcid.org/0000-0002-3524-2056
(unauthenticated)
;
Tomu Hamakawa (author) (この著者で検索)
https://orcid.org/0009-0009-5960-2464
(unauthenticated)
;
Rinkle Juneja (author) (この著者で検索)
https://orcid.org/0000-0001-6372-1524
(unauthenticated)
;
Shouhang Li (author) (この著者で検索)
https://orcid.org/0000-0001-6287-8394
(unauthenticated)
;
Wu Li (author) (この著者で検索)
https://orcid.org/0000-0003-3854-4268
(unauthenticated)
;
;Ryota Masuki (author) (この著者で検索)Fanchen Meng (author) (この著者で検索)
https://orcid.org/0000-0001-9869-9005
(unauthenticated)
;
;Han Meng (author) (この著者で検索)Tribhuwan Pandey (author) (この著者で検索)
https://orcid.org/0000-0002-0373-7716
(unauthenticated)
;
Cheng Shao (author) (この著者で検索)
https://orcid.org/0000-0002-4382-2608
(unauthenticated)
;
Junichiro Shiomi (author) (この著者で検索)
https://orcid.org/0000-0002-3552-4555
(unauthenticated)
;
Terumasa Tadano (author) (この著者で検索)
;
Atsushi Togo (author) (この著者で検索)
;
Ao Wang (author) (この著者で検索)
https://orcid.org/0000-0002-3876-5987
(unauthenticated)
;
Xinyu Zhang (author) (この著者で検索)
https://orcid.org/0000-0001-7666-9892
(unauthenticated)
- キーワード
- phonon, first-principles calculation, lattice thermal conductivity
- 刊行年月日
- 2025-10-07
- 更新時刻
- 2025-11-13 12:30:10 +0900
First-principles insights into the atomic structure of carbon-nitrogen-oxygen complex color centers in silicon
- データセット
- 著者
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UDVARHELYI Peter (author) (この著者で検索)
https://orcid.org/0000-0002-7073-1664
(unauthenticated)
National Institute for Materials Science International Center for Young Scientists
- キーワード
- color center, quantum defect, first-principles calculation
- 刊行年月日
- 更新時刻
- 2026-06-23 11:40:32 +0900
Crystal structure, stability and Li superionic conductivity of pyrochlore-type solid electrolyte Li2−xLa(1+x)/3Nb2O6F: a first-principles calculation study
- ジャーナル論文
- 著者
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Randy Jalem (author) (この著者で検索)National Institute for Materials Science
;
Kazunori Takada (author) (この著者で検索)National Institute for Materials Science
;
;Hitoshi Onodera (author) (この著者で検索)Shuhei Yoshida (author) (この著者で検索)
- キーワード
- all solid state batteries, solid electrolytes, first-principles calculation, molecular dynamics simulations
- 刊行年月日
- 2024-10-28
- 更新時刻
- 2025-10-28 08:30:19 +0900
First-principles calculations of optical constants
- データセット
- 著者
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SHINOTSUKA, Hiroshi (author) (この著者で検索)
;
YOSHIKAWA, Hideki (author) (この著者で検索)
;
TANUMA, Shigeo (author) (この著者で検索)
- キーワード
- first-principles calculation, energy loss function, optical constant, compound semiconductor
- 刊行年月日
- 2021-07-06
- 更新時刻
- 2022-10-03 02:03:24 +0900
Numerical atomic basis orbitals from H to Kr
- ジャーナル論文
- 著者
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;T. Ozaki (author) (この著者で検索)H. Kino (author) (この著者で検索)National Institute for Materials Science
- キーワード
- OpenMX, first-principles calculation, DFT, LCAO, numerical atomic basis, benchmark, molecules, bulks
- 刊行年月日
- 2004-05-28
- 更新時刻
- 2024-01-05 22:11:39 +0900