MDR: NIMS Materials Data Repository

キーワード: density functional theory

3 件のレコードが見つかりました。 1件目から3件目まで表示します。

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

;

Tatsuhiko Ohto (author) (この著者で検索)

https://orcid.org/0000-0001-8681-3800 (unauthenticated)

Nagoya University

;

Tomohiko Nishiuchi (author) (この著者で検索)

https://orcid.org/0000-0002-2113-0731 (unauthenticated)

Osaka University

;

Shino Takeuchi (author) (この著者で検索)

Osaka University

;

Yuki Nishide (author) (この著者で検索)

Nagoya University

;

Hajime Kimizuka (author) (この著者で検索)

https://orcid.org/0000-0002-4610-9760 (unauthenticated)

Nagoya University

;

Takashi Kubo (author) (この著者で検索)

https://orcid.org/0000-0001-6809-7396 (unauthenticated)

Osaka University

;

Shigeki Kawai (author) (この著者で検索)

https://orcid.org/0000-0003-2128-0120

NIMS Researchers Directory SAMURAI
キーワード: on-surface synthesis, fragmentation, Diels-Alder reaction, scanning tunneling microscopy, density functional theory, oligonomers
刊行年月日: 2025-10-14
更新時刻: 2025-10-21 16:06:44 +0900

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

;

Katsunori Wakabayashi (author) (この著者で検索)

https://orcid.org/0000-0002-9147-9939 (unauthenticated)

National Institute for Materials Science
キーワード: Wannier function, maximally localized Wannier function, density functional theory, adiabatic transport theory, Berry phase, Zak phase, Wilson loop
刊行年月日: 2026-07-15
更新時刻: 2026-06-16 11:13:40 +0900

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

University of Yamanashi a Center for Crystal Science and Technology

;

Keisuke Arimoto (author) (この著者で検索)

;

Junji Yamanaka (author) (この著者で検索)

;

Kosuke O. Hara (author) (この著者で検索)
キーワード: Solar cells, metallic electrode, high-throughput virtual screening, work function, melting point, density functional theory
刊行年月日: 2026-12-31
更新時刻: 2026-03-07 12:30:04 +0900