Shaping Maximally Localized Wannier Functions via Discrete Adiabatic Transport
- ジャーナル論文
- 著者
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;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
Computational material screening for electrode materials of BaSi2 solar cells
- ジャーナル論文
- 著者
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;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
Near-surface defects break symmetry in water adsorption on CeO2−x(111)
- ジャーナル論文
- 著者
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Oscar Custance (author) (この著者で検索)
;
Manuel González Lastre (author) (この著者で検索)
https://orcid.org/0009-0000-2299-6687
(unauthenticated)
;
Kyungmin Kim (author) (この著者で検索)
https://orcid.org/0000-0002-3147-5100
(unauthenticated)
;
Estefanía Fernández-Villanueva (author) (この著者で検索)
https://orcid.org/0000-0002-9419-0786
(unauthenticated)
;
Pablo Pou (author) (この著者で検索)
https://orcid.org/0000-0002-5854-8218
(unauthenticated)
;
Masayuki Abe (author) (この著者で検索)
https://orcid.org/0000-0001-5619-3911
(unauthenticated)
;
Hossein Sepehri-Amin (author) (この著者で検索)
;
Shigeki Kawai (author) (この著者で検索)
;
M. Verónica Ganduglia-Pirovano (author) (この著者で検索)
https://orcid.org/0000-0003-2408-8898
(unauthenticated)
;
Ruben Perez (author) (この著者で検索)
https://orcid.org/0000-0001-5896-541X
(unauthenticated)
- キーワード
- scanning probe microscopy, cerium dioxide, water, surface, thin films, density functional theory
- 刊行年月日
- 2026-01-23
- 更新時刻
- 2026-02-08 08:30:20 +0900
Multiobjective Solid Electrolyte Design of Tetragonal and Cubic Inverse-Perovskites for All-Solid-State Lithium-Ion Batteries by High-Throughput Density Functional Theory Calculations and AI-Driven Methods
- ジャーナル論文
- 著者
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JALEM Randy (author) (この著者で検索)National Institute for Materials Science Research Center for Energy and Environmental Materials (GREEN)/Battery and Cell Materials Field/Interface Electrochemistry Group
;
TATEYAMA Yoshitaka (author) (この著者で検索)National Institute for Materials Science Research Center for Energy and Environmental Materials (GREEN)/Battery and Cell Materials Field/Interface Electrochemistry Group
;
TAKADA Kazunori (author) (この著者で検索)National Institute for Materials Science Research Center for Energy and Environmental Materials (GREEN)/Battery and Cell Materials Field/Solid-State Battery Group
;
JANG Seonghoon (author) (この著者で検索)National Institute for Materials Science Research Center for Energy and Environmental Materials (GREEN)/Battery and Cell Materials Field/Interface Electrochemistry Group
- キーワード
- all solid state batteries, solid electrolytes, density functional theory, materials informatics, machine learning, novel materials search
- 刊行年月日
- 2023-09-07
- 更新時刻
- 2024-08-28 08:30:15 +0900