ライセンス: Creative Commons BY Attribution 4.0 International キーワード: first-principles calculation
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McGaughey et al. 2025 - Phonon Olympics - Phonon property and lattice thermal conductivity benchmarking from open-source packages.pdf
Phonon Olympics: Phonon property and lattice thermal conductivity benchmarking from open-source packages
論文
著者
Alan J. H. McGaughey ORCID ; Lucas Lindsay ORCID ; Hua Bao ORCID ; Tomu Hamakawa ORCID ; Rinkle Juneja ORCID ; Shouhang Li ORCID ; Wu Li ORCID ; Ryota Masuki ; Fanchen Meng ORCID ; Han Meng ; Tribhuwan Pandey ORCID ; Cheng Shao ORCID ; Junichiro Shiomi ORCID ; Terumasa Tadano SAMURAI ORCID ; Atsushi Togo SAMURAI ORCID ; Ao Wang ORCID ; Xinyu Zhang ORCID
キーワード
phonon, first-principles calculation, lattice thermal conductivity
刊行年月日
2025-10-07
更新時刻
2025-11-13 12:30:10 +0900
Data-driven-analysis-of-electron-relaxation-times.pdf
Data-driven analysis of electron relaxation times in PbTe-type thermoelectric materials
論文
著者
Yukari Katsura SAMURAI ORCID ; Masaya Kumagai ; Takushi Kodani ; Mitsunori Kaneshige ; Yuki Ando ; Sakiko Gunji ; Yoji Imai ; Hideyasu Ouchi ; Kazuki Tobita ; Kaoru Kimura ; Koji Tsuda SAMURAI ORCID
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
論文
著者
Shengzhou Li SAMURAI ORCID ; Tsuyoshi Miyazaki SAMURAI ORCID ; Ayako Nakata SAMURAI ORCID
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
SrSi2_Ga_Kunioka_J_Mater_Sci_59.pdf
Investigation of group 13 elements as potential candidates for p-type dopants in the narrow-gap thermoelectric semiconductor α-SrSi2
論文
著者
Haruno Kunioka ; Daishi Shiojiri ; Shinta Takahashi ; Kota Hiratsuka ; Masato Yamaguchi ; Naomi Hirayama ; Yoji Imai ; Motoharu Imai SAMURAI ORCID ; Tsutomu Iida
キーワード
silicide, thermoelectric material, doping, first-principles calculation, melt growth, sintering, SrSi2
刊行年月日
2024-04-25
更新時刻
2024-07-17 09:05:42 +0900