MDR: NIMS Materials Data Repository

資源タイプ: ジャーナル論文キーワード: DFT

5 件のレコードが見つかりました。

ジャーナル論文
著者: T. Ozaki (author) (この著者で検索)

;

H. Kino (author) (この著者で検索)

https://orcid.org/0000-0002-8912-686X

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

ジャーナル論文
著者: Atazaz Ahsin (author) (この著者で検索)

Toyota Central R&D Labs. Inc

;

Aamna Qamar (author) (この著者で検索)

;

Qing Lu (author) (この著者で検索)

Chinese Academy of Sciences Beijing National Laboratory for Molecular Sciences

;

Wensheng Bian (author) (この著者で検索)

Chinese Academy of Sciences Beijing National Laboratory for Molecular Sciences
キーワード: Electrides, Excess electrons, Optoelectronic, Molecular dynamics, DFT
刊行年月日: 2024-12-31
更新時刻: 2024-06-03 16:30:17 +0900

ジャーナル論文
著者: Yuuki Yasui (author) (この著者で検索)

;

Katsuyuki Matsunaga (author) (この著者で検索)

;

Keisuke Sagisaka (author) (この著者で検索)

https://orcid.org/0000-0002-5089-4271

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Yoshiaki Sugimoto (author) (この著者で検索)
キーワード: Nb(110), AFM, STM, DFT
刊行年月日: 2024-05-08
更新時刻: 2024-05-29 08:30:07 +0900

ジャーナル論文
著者: Yugo Oshima (author) (この著者で検索)

https://orcid.org/0000-0001-9822-8262 (unauthenticated)

;

Yasuyuki Ishii (author) (この著者で検索)

https://orcid.org/0000-0001-6520-3894 (unauthenticated)

;

Francis L. Pratt (author) (この著者で検索)

https://orcid.org/0000-0002-5919-3885 (unauthenticated)

;

Isao Watanabe (author) (この著者で検索)

https://orcid.org/0000-0003-4722-8654 (unauthenticated)

;

Hitoshi Seo (author) (この著者で検索)

https://orcid.org/0000-0003-4907-7255 (unauthenticated)

;

Takao Tsumuraya (author) (この著者で検索)

https://orcid.org/0000-0001-9063-9278 (unauthenticated)

;

Tsuyoshi Miyazaki (author) (この著者で検索)

https://orcid.org/0000-0003-3534-4404

NIMS Researchers Directory SAMURAI

;

Reizo Kato (author) (この著者で検索)

https://orcid.org/0000-0002-2606-4657 (unauthenticated)
キーワード: Molecular Triangular Lattice System, 1D spin liquid, electron spin resonance, muon-spin relaxation measurements, DFT, extended Hubbard model
刊行年月日: 2024-12-03
更新時刻: 2024-12-06 17:17:56 +0900

ジャーナル論文
著者: Kuan-Yu Lin (author) (この著者で検索)

;

Rui-Tong Kuo (author) (この著者で検索)

;

Tsuyoshi Miyazaki (author) (この著者で検索)

https://orcid.org/0000-0003-3534-4404

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Bing Joe Hwang (author) (この著者で検索)

;

Jyh-Chiang Jiang (author) (この著者で検索)
キーワード: Li metal battery, DFT, solid electrolyte interface, MD
刊行年月日: 2024-04-13
更新時刻: 2024-08-20 10:48:14 +0900