MDR: NIMS Materials Data Repository

資源タイプ: ジャーナル論文キーワード: DFT

9 件のレコードが見つかりました。

ジャーナル論文
著者: Atazaz Ahsin (author) (この著者で検索)

Toyota Central R&D Labs. Inc

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Aamna Qamar (author) (この著者で検索)

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Qing Lu (author) (この著者で検索)

Chinese Academy of Sciences Beijing National Laboratory for Molecular Sciences

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Wensheng Bian (author) (この著者で検索)

Chinese Academy of Sciences Beijing National Laboratory for Molecular Sciences
キーワード: Electrides, Excess electrons, Optoelectronic, Molecular dynamics, DFT
刊行年月日: 2024-12-31
更新時刻: 2024-06-03 16:30:17 +0900

ジャーナル論文
著者: Yuuki Yasui (author) (この著者で検索)

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Katsuyuki Matsunaga (author) (この著者で検索)

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Keisuke Sagisaka (author) (この著者で検索)

https://orcid.org/0000-0002-5089-4271

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

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Yoshiaki Sugimoto (author) (この著者で検索)
キーワード: Nb(110), AFM, STM, DFT
刊行年月日: 2024-05-08
更新時刻: 2024-05-29 08:30:07 +0900

ジャーナル論文
著者: Vei Wang (author) (この著者で検索)

Xi’an University of Technology

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Gang Tang (author) (この著者で検索)

Beijing Institute of Technology

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Ya-Chao Liu (author) (この著者で検索)

Xi’an University of Technology

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Ren-Tao Wang (author) (この著者で検索)

Xi’an University of Technology

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Hiroshi Mizuseki (author) (この著者で検索)

Korea Institute of Science and Technology

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Yoshiyuki Kawazoe (author) (この著者で検索)

New Industry Creation Hatchery Center, Tohoku University, Sendai 980–8579, Japan

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Jun Nara (author) (この著者で検索)

National Institute for Materials Science International Center for Materials Nanoarchitectonics/Nano-Theory Field/First-Principles Simulation Group

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Wen Tong Geng (author) (この著者で検索)

Hainan University
キーワード: DFT, 2D Materials
刊行年月日: 2022-12-22
更新時刻: 2023-12-25 15:17:40 +0900

ジャーナル論文
著者: Kuan-Yu Lin (author) (この著者で検索)

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Rui-Tong Kuo (author) (この著者で検索)

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Tsuyoshi Miyazaki (author) (この著者で検索)

https://orcid.org/0000-0003-3534-4404

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

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Bing Joe Hwang (author) (この著者で検索)

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Jyh-Chiang Jiang (author) (この著者で検索)
キーワード: Li metal battery, DFT, solid electrolyte interface, MD
刊行年月日: 2024-04-13
更新時刻: 2024-08-20 10:48:14 +0900

ジャーナル論文
著者: Kota Hasegawa (author) (この著者で検索)

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Takao Shimizu (author) (この著者で検索)

https://orcid.org/0000-0001-9508-7601

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Naoki Ohashi (author) (この著者で検索)

https://orcid.org/0000-0002-4011-0031

National Institute for Materials Science

NIMS Researchers Directory SAMURAI
キーワード: AlN, DFT, Strain, Stress, Ferrorlrctricity
刊行年月日: 2022-07-01
更新時刻: 2025-04-14 16:30:59 +0900

ジャーナル論文
著者: Yugo Oshima (author) (この著者で検索)

https://orcid.org/0000-0001-9822-8262 (unauthenticated)

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Yasuyuki Ishii (author) (この著者で検索)

https://orcid.org/0000-0001-6520-3894 (unauthenticated)

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Francis L. Pratt (author) (この著者で検索)

https://orcid.org/0000-0002-5919-3885 (unauthenticated)

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Isao Watanabe (author) (この著者で検索)

https://orcid.org/0000-0003-4722-8654 (unauthenticated)

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Hitoshi Seo (author) (この著者で検索)

https://orcid.org/0000-0003-4907-7255 (unauthenticated)

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Takao Tsumuraya (author) (この著者で検索)

https://orcid.org/0000-0001-9063-9278 (unauthenticated)

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Tsuyoshi Miyazaki (author) (この著者で検索)

https://orcid.org/0000-0003-3534-4404

NIMS Researchers Directory SAMURAI

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Reizo Kato (author) (この著者で検索)

https://orcid.org/0000-0002-2606-4657 (unauthenticated)
キーワード: Molecular Triangular Lattice System, 1D spin liquid, electron spin resonance, muon-spin relaxation measurements, DFT, extended Hubbard model
刊行年月日: 2024-12-03
更新時刻: 2024-12-06 17:17:56 +0900

ジャーナル論文
著者: T. Ozaki (author) (この著者で検索)

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H. Kino (author) (この著者で検索)

https://orcid.org/0000-0002-8912-686X

National Institute for Materials Science
キーワード: OpenMX, first-principles calculation, DFT, LCAO, numerical atomic basis, benchmark, molecules, bulks
刊行年月日: 2004-05-28
更新時刻: 2024-01-05 22:11:39 +0900

ジャーナル論文
著者: Alena Vishina (author) (この著者で検索)

Uppsala University a Department of Physics and Astronomy

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Rebecca Clulow (author) (この著者で検索)

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Daniel Hedlund (author) (この著者で検索)

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Vitalii Shtender (author) (この著者で検索)

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Peter Svedlindh (author) (この著者で検索)

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Martin Sahlberg (author) (この著者で検索)

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Olle Eriksson (author) (この著者で検索)

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Heike C. Herper (author) (この著者で検索)
キーワード: Permanent magnets, magnetic anisotropy, DFT, magnetism, rare-earth-free
刊行年月日: 2025-12-31
更新時刻: 2025-08-18 16:30:29 +0900

ジャーナル論文
著者: Celal Yelgel (author) (この著者で検索)

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Övgü C. Yelgel (author) (この著者で検索)

The Computational Modelling Laboratory, Recep Tayyip Erdogan University,
キーワード: Transition metal dichalcogenides, DFT, MoTe2, defect control, electronic properties
刊行年月日: 2024-12-31
更新時刻: 2025-07-16 16:14:08 +0900