キーワード: first-principles calculation

2 件のレコードが見つかりました。

Data-driven-analysis-of-electron-relaxation-times.pdf
Data-driven analysis of electron relaxation times in PbTe-type thermoelectric materials
ジャーナル論文
著者
Yukari Katsura (author) (この著者で検索)
ORCID SAMURAI ;
Masaya Kumagai (author) (この著者で検索)
;
Takushi Kodani (author) (この著者で検索)
;
Mitsunori Kaneshige (author) (この著者で検索)
;
Yuki Ando (author) (この著者で検索)
National Institute for Materials Science
;
Sakiko Gunji (author) (この著者で検索)
;
Yoji Imai (author) (この著者で検索)
;
Hideyasu Ouchi (author) (この著者で検索)
;
Kazuki Tobita (author) (この著者で検索)
;
Kaoru Kimura (author) (この著者で検索)
;
Koji Tsuda (author) (この著者で検索)
ORCID SAMURAI
キーワード
materials informatics, database, data curation, thermoelectric materials, first-principles calculation, electron relaxation time
刊行年月日
2019-12-31
更新時刻
2024-10-10 16:31:01 +0900

出版版:2024_PhysChemChemPhys_26_20251.pdf
Theoretical search for characteristic atoms in supported gold nanoparticles: a large-scale DFT study
ジャーナル論文
著者
Shengzhou Li (author) (この著者で検索)
ORCID SAMURAI ;
Tsuyoshi Miyazaki (author) (この著者で検索)
ORCID SAMURAI ;
Ayako Nakata (author) (この著者で検索)
ORCID SAMURAI
キーワード
Large-scale DFT, gold nanoparticle, supported nanoparticle, statistic analysis, density of states, principal component analysis, first-principles calculation
刊行年月日
2024-06-21
更新時刻
2024-08-31 08:30:29 +0900