10000 件のレコードが見つかりました。

Supplemental_material_v4.pdf
Computational material screening for electrode materials of BaSi2 solar cells
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

20250601TODA_Yoshiaki-abstract.pdf
Prediction of CCT Curves for Titanium Alloys Based on Energetics
プレゼンテーション
著者
Yoshiaki Toda (author) (この著者で検索)
National Institute for Materials Science Center for Basic Research on Materials/Data-driven Materials Research Field/Materials Modeling Group
ORCID SAMURAI ;
Nina Kobata (author) (この著者で検索)
National Institute for Materials Science Center for Basic Research on Materials/Data-driven Materials Research Field/Materials Modeling Group
;
Masahiko Demura (author) (この著者で検索)
National Institute for Materials Science Center for Basic Research on Materials/Data-driven Materials Research Field/Materials Modeling Group
ORCID SAMURAI ;
Yoko Yamabe-Mitarai (author) (この著者で検索)
Department of Advanced Material Science, Graduate School of Frontier Sciences, The University of Tokyo
キーワード
α-phase, β-solid solution, CALPHAD, Free Energy, Precipitation
刊行年月日
更新時刻
2025-12-19 16:31:23 +0900

2401.17531v3.pdf
On-the-fly training of polynomial machine learning potentials in computing lattice thermal conductivity
ジャーナル論文
著者
Atsushi Togo (author) (この著者で検索)
ORCID SAMURAI ;
Atsuto Seko (author) (この著者で検索)
キーワード
Polynomial machine learning potential, Lattice thermal conductivity calculation
刊行年月日
2024-06-07
更新時刻
2024-08-29 16:30:19 +0900

IPC2023T8poster_21P119a_金済徳.pdf
Sulfonation Properties of Polyphenylsulfone
会議発表ポスター
著者
KIM, Jedeok (author) (この著者で検索)
National Institute for Materials Science Research Center for Electronic and Optical Materials/Functional Materials Field/Environmental Circulation Composite Materials Group
ORCID SAMURAI
キーワード
SPPSU synthesis, High proton conductivity, PEFC
刊行年月日
更新時刻
2023-07-31 11:08:39 +0900

yagodkin-et-al-2023-probing-the-formation-of-dark-interlayer-excitons-via-ultrafast-photocurrent.pdf
Probing the Formation of Dark Interlayer Excitons via Ultrafast Photocurrent
ジャーナル論文
著者
Denis Yagodkin (author) (この著者で検索)
;
Abhijeet Kumar (author) (この著者で検索)
;
Elias Ankerhold (author) (この著者で検索)
;
Johanna Richter (author) (この著者で検索)
;
Kenji Watanabe (author) (この著者で検索)
ORCID SAMURAI ;
Takashi Taniguchi (author) (この著者で検索)
ORCID SAMURAI ;
Cornelius Gahl (author) (この著者で検索)
;
Kirill I. Bolotin (author) (この著者で検索)
キーワード
Dark excitons, ultrafast photocurrent, MoS2/MoSe2
刊行年月日
2023-10-25
更新時刻
2025-02-14 16:31:00 +0900

c7cp08280k.pdf
Liquid electrolyte informatics using an exhaustive search with linear regression
データセット
著者
SODEYAMA, Keitaro (author) (この著者で検索)
ORCID SAMURAI ;
IGARASHI, Yasuhiko (author) (この著者で検索)
ORCID ;
NAKAYAMA, Tomofumi (author) (この著者で検索)
ORCID ;
TATEYAMA, Yoshitaka (author) (この著者で検索)
ORCID SAMURAI ;
OKADA, Masato (author) (この著者で検索)
ORCID
キーワード
molecules, Li-ion battery, quantum chemistry calculations, materials informatics, Gaussian09, organic solvents
刊行年月日
2018-06-14
更新時刻
2024-02-08 17:54:30 +0900

STAMMethods4(2024)2412968.pdf
First-principles thermodynamic modeling for the Al-Nb-Ni ternary system
ジャーナル論文
著者
Arkapol Saengdeejing (author) (この著者で検索)
ORCID SAMURAI ;
Ryoji Sahara (author) (この著者で検索)
ORCID SAMURAI ;
Yoshiaki Toda (author) (この著者で検索)
ORCID SAMURAI
キーワード
CALPHAD, density functional theory, SQS, first principles, thermodynamic database, Al-Nb-Ni
刊行年月日
2024-12-31
更新時刻
2024-12-05 12:47:48 +0900

D5DD00437C.pdf
Automated synthesis and fragment descriptor-based machine learning for retention time prediction in supercritical fluid chromatography
ジャーナル論文
著者
Sitanan Sartyoungkul (author) (この著者で検索)
;
Balasubramaniyan Sakthivel (author) (この著者で検索)
;
Pavel Sidorov (author) (この著者で検索)
ORCID ;
Yuuya Nagata (author) (この著者で検索)
ORCID
キーワード
Automated synthesis, Fragment descriptor, Machine learning, Retention time prediction, Supercritical fluid chromatography
刊行年月日
2025-11-26
更新時刻
2025-12-24 15:05:55 +0900