Python suites for high-throughput calculations of the ab-initio quantum Monte Carlo methods
- データセット
- 著者
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NAKANO, Kosuke (author) (この著者で検索)National Institute for Materials Science (NIMS) Center for Basic Research on Materials
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;Oto Kohulák (author) (この著者で検索)International School for Advanced Studies (SISSA);Abhishek Raghav (author) (この著者で検索)International School for Advanced Studies (SISSA);Michele Casula (author) (この著者で検索)Sorbonne Université Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie (IMPMC)Sandro Sorella (author) (この著者で検索)International School for Advanced Studies (SISSA) - キーワード
- Ab initio Quantum Monte Carlo, High-throughput calculations, TurboRVB, TurboGenius
- 刊行年月日
- 更新時刻
- 2023-11-15 15:38:36 +0900
Original dataset for ID 131 Zr46Cu30.14Al8.36Al8Be7.5 in Thermophysical Property Database
- データセット
- コレクション
- Thermophysical Property Original Datasets
- 著者
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;Takehiko Ishikawa (depositor) (この著者で検索)Japan Aerospace Exploration AgencyMasashi Ishii (editor) (この著者で検索)National Institute for Materials Science
- キーワード
- Zr46Cu30.14Al8.36Al8Be7.5, Alloy, Drop oscillation, VELF, Electrostatic Levitation, collection - Thermophys Datasets
- 刊行年月日
- 更新時刻
- 2024-03-30 18:39:42 +0900
Dual quantum spin Hall insulator by density-tuned correlations in TaIrTe4
- ジャーナル論文
- 著者
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;Jian Tang (author) (この著者で検索);Thomas Siyuan Ding (author) (この著者で検索);Hongyu Chen (author) (この著者で検索);Anyuan Gao (author) (この著者で検索);Tiema Qian (author) (この著者で検索);Zumeng Huang (author) (この著者で検索);Zhe Sun (author) (この著者で検索);Xin Han (author) (この著者で検索);Alex Strasser (author) (この著者で検索);Jiangxu Li (author) (この著者で検索);Michael Geiwitz (author) (この著者で検索);Mohamed Shehabeldin (author) (この著者で検索);Vsevolod Belosevich (author) (この著者で検索);Zihan Wang (author) (この著者で検索);Yiping Wang (author) (この著者で検索)Kenji Watanabe (author) (この著者で検索)National Institute for Materials Science
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Takashi Taniguchi (author) (この著者で検索)National Institute for Materials Science
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;David C. Bell (author) (この著者で検索);Ziqiang Wang (author) (この著者で検索);Liang Fu (author) (この著者で検索);Yang Zhang (author) (この著者で検索);Xiaofeng Qian (author) (この著者で検索);Kenneth S. Burch (author) (この著者で検索);Youguo Shi (author) (この著者で検索);Ni Ni (author) (この著者で検索);Guoqing Chang (author) (この著者で検索);Su-Yang Xu (author) (この著者で検索)Qiong Ma (author) (この著者で検索)
- キーワード
- Quantum Spin Hall (QSH) Insulator, Electron Correlations, Charge Density Wave (CDW)
- 刊行年月日
- 2024-04-18
- 更新時刻
- 2025-09-05 16:30:37 +0900
PoLyInfo Conceptual Schema Version 1.0
- データセット
- コレクション
- PoLyInfo Knowledge Collection
- 著者
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Masashi Ishii (author) (この著者で検索)National Institute for Materials Science
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Koichi Sakamoto (author) (この著者で検索)National Institute for Materials Science
- キーワード
- Polymer chemistry knowledge, PoLyInfo, Conceptual schema, ShEx, collection - PoLyInfo Knowledge
- 刊行年月日
- 更新時刻
- 2024-03-27 12:30:25 +0900
Pulsed laser deposition of ZnO/MgxZn1-xO superlattices for quantum cascade laser applications
- ジャーナル論文
- 著者
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;Tatsuya Masuda (author) (この著者で検索)a Smart Combinatorial Technology;Toshihiro Sato (author) (この著者で検索);Norihiko Sekine (author) (この著者で検索);Iwao Hosako (author) (この著者で検索);Gen-Ichi Hatakoshi (author) (この著者で検索);Hideomi Koinuma (author) (この著者で検索)Ryota Takahashi (author) (この著者で検索)
- キーワード
- Pulsed laser deposition, quantum cascade laser, ZnO/MgxZn1-xO superlattices
- 刊行年月日
- 2026-07-16
- 更新時刻
- 2026-07-17 14:49:14 +0900
A data-driven elucidation of the challenges in designing stable quinone derivatives for aqueous organic redox flow batteries: correlations between thermodynamics of chemical degradation and energy capacity metrics
- ジャーナル論文
- 著者
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;Ning Lu (author) (この著者で検索)RWTH Aachen University a MODES, the Integrated Fuel & Chemical Science Centre;Shiyao Ju (author) (この著者で検索);Daniel Willimetz (author) (この著者で検索);Shengming Tang (author) (この著者で検索)Abhishek Khetan (author) (この著者で検索)
- キーワード
- Aqueous organic redox flow batteries, quinone stability, degradation, molecular design, high-throughput screening, durability, grid-scale energy storage
- 刊行年月日
- 2026-07-16
- 更新時刻
- 2026-07-17 13:28:23 +0900
Examples of SQS (special quasirandom structure) models for arbitrary binary bcc (body centered cubic) and hcp (hexagonal close packed) structures
- データセット
- 著者
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SAHARA, Ryoji (author) (この著者で検索)
- キーワード
- Sommerfeld model, quasi-harmonic vibrational contribution, First-principles calculation, Debye model, titanium alloys
- 刊行年月日
- 2020-10-15
- 更新時刻
- 2024-01-05 22:12:16 +0900
First-principles insights into the atomic structure of carbon-nitrogen-oxygen complex color centers in silicon
- データセット
- 著者
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UDVARHELYI Peter (author) (この著者で検索)
https://orcid.org/0000-0002-7073-1664
(unauthenticated)
National Institute for Materials Science International Center for Young Scientists
- キーワード
- color center, quantum defect, first-principles calculation
- 刊行年月日
- 更新時刻
- 2026-08-19 16:44:51 +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
Sample data for X-ray visualization of local bending of the lattice planes (XR-V-LBLP)
- データセット
- 著者
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YAGYU, Shinjiro (curator) (この著者で検索)National Institute for Materials Science
- キーワード
- X-ray diffraction topography
- 刊行年月日
- 2023-03-27
- 更新時刻
- 2023-03-27 16:02:33 +0900