キーワード: Density functional theory

3 件のレコードが見つかりました。

[Vol. 48]Origins of Macroscopic Friction Linked to Energy Landscape on the Nanoscale_ WPI-MANA.pdf
[Research Highlights Vol.48] Origins of Macroscopic Friction Linked to Energy Landscape on the Nanoscale
雑誌
コレクション
Research Highlights
著者
International Center for Materials Nanoarchitectonics (WPI-MANA) (author) (この著者で検索)
National Institute for Materials Science
キーワード
Clays, Layered minerals, Mica, Kaolinite, Friction coefficients, Geophysics, Natural faults, Interlayer bonding, First-principles simulation, Density functional theory, van der Waals interaction
刊行年月日
2019-03-19
更新時刻
2023-12-25 00:30:23 +0900

Miyamoto_2025.pdf
Construction of Machine Learning Potentials toward the Exploration of Alloy Cluster Catalysts
ジャーナル論文
著者
Kentaro Miyamoto (author) (この著者で検索)
;
Koji Shimizu (author) (この著者で検索)
;
Anh Khoa Augustin Lu (author) (この著者で検索)
ORCID SAMURAI ;
Satoshi Watanabe (author) (この著者で検索)
キーワード
High entropy alloys, Machine learning, Density functional theory, Catalysts, CO2 reduction reaction
刊行年月日
2025-05-17
更新時刻
2026-05-18 15:04:41 +0900

s41598-024-55014-8.pdf
Combinatorial characterization of metastable luminous silver cations
ジャーナル論文
著者
Hirokazu Masai (author) (この著者で検索)
;
Masanori Koshimizu (author) (この著者で検索)
;
Hiroki Kawamoto (author) (この著者で検索)
;
Hiroyuki Setoyama (author) (この著者で検索)
;
Yohei Onodera (author) (この著者で検索)
ORCID SAMURAI ;
Kazutaka Ikeda (author) (この著者で検索)
;
Shingo Maruyama (author) (この著者で検索)
;
Naoki Haruta (author) (この著者で検索)
;
Tohru Sato (author) (この著者で検索)
;
Yuji Matsumoto (author) (この著者で検索)
;
Chika Takahashi (author) (この著者で検索)
;
Teruyasu Mizoguchi (author) (この著者で検索)
キーワード
Glass, Radiophotoluminescence, X-ray diffraction, Neutron diffraction, Reverse Monte Carlo, Density functional theory, X-ray absorption fine structure
刊行年月日
2024-02-26
更新時刻
2024-03-28 12:30:33 +0900