MDR: NIMS Materials Data Repository

キーワード: First-principles calculations

3 件のレコードが見つかりました。

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

https://orcid.org/0000-0002-5296-7403 (unauthenticated)

National Institute for Materials Science (NIMS) Research and Services Division of Materials Data and Integrated System (MaDIS)

;

Yui Fujihara (author) (この著者で検索)

https://orcid.org/0000-0002-4842-5740 (unauthenticated)

Tohoku university Institute of Multidisciplinary Research for Advanced Materials

;

Hiroaki Kobayashi (author) (この著者で検索)

https://orcid.org/0000-0001-6705-9515 (unauthenticated)

Tohoku university Institute of Multidisciplinary Research for Advanced Materials

;

Keitaro Sodeyama (author) (この著者で検索)

https://orcid.org/0000-0002-9228-0729

National Institute for Materials Science (NIMS) Research and Services Division of Materials Data and Integrated System (MaDIS)

NIMS Researchers Directory SAMURAI
キーワード: Mg-battery, Cathode, Spinel Surface, Surface reconstruction, First-principles calculations
刊行年月日: 2022-12-17
更新時刻: 2024-01-05 22:13:50 +0900

ジャーナル論文
著者: 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

;

Hitoshi Seo (author) (この著者で検索)
キーワード: First-principles calculations, Density Functional Theory, Molecular Conductors, Strongly Correlated Systems
刊行年月日: 2024-12-15
更新時刻: 2024-11-21 16:30:38 +0900

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

;

Ryoji Sahara (author) (この著者で検索)

https://orcid.org/0000-0003-0788-2985

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Kenta Hongo (author) (この著者で検索)

https://orcid.org/0000-0002-2580-0907 (unauthenticated)

National Institute for Materials Science
キーワード: Semi-ordered atomic arrangements, Multicomponent alloys, Multi-principal element alloys, Order–disorder competition, First-principles calculations
刊行年月日: 2025-07-23
更新時刻: 2025-12-24 16:16:53 +0900