MDR: NIMS Materials Data Repository

ライセンス: Creative Commons BY Attribution 4.0 International キーワード: DFT

7 件のレコードが見つかりました。

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

https://orcid.org/0000-0002-6522-0704

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Kenji Tamura (author) (この著者で検索)

https://orcid.org/0000-0001-6578-0923

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Shigeru Suehara (author) (この著者で検索)

https://orcid.org/0000-0001-7423-2830

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Kenjiro Hashi (author) (この著者で検索)

https://orcid.org/0000-0002-0320-4768

National Institute for Materials Science

NIMS Researchers Directory SAMURAI
キーワード: Cesium, phlogopite, vermiculite, NMR, molecular dynamics, DFT
刊行年月日: 2026-03-03
更新時刻: 2026-03-05 16:30:12 +0900

データセット
著者: Cesare Cozza (author) (この著者で検索)

University of Zurich Department of Astrophysics

;

Kousuke Nakano (author) (この著者で検索)

https://orcid.org/0000-0001-7756-4355

National Institute for Materials Science (NIMS) Center for Basic Research on Materials

NIMS Researchers Directory SAMURAI

;

Saburo Howard (author) (この著者で検索)

University of Zurich Department of Astrophysics

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Hao Xie (author) (この著者で検索)

University of Zurich Department of Astrophysics

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Ravit Helled (author) (この著者で検索)

University of Zurich Department of Astrophysics

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Guglielmo Mazzola (author) (この著者で検索)

University of Zurich Department of Astrophysics
キーワード: Hydrogen, Equation of State, DFT, SCAN-VV10
刊行年月日
更新時刻: 2026-01-20 08:34:18 +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: Kota Hasegawa (author) (この著者で検索)

;

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: Kuan-Yu Lin (author) (この著者で検索)

https://orcid.org/0000-0002-2426-5543 (unauthenticated)

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Mei-Ru Lai (author) (この著者で検索)

;

Minoru Otani (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

;

Jyh-Chiang Jiang (author) (この著者で検索)
キーワード: Li-S battery, DFT, 3D-RISM, MOF
刊行年月日: 2024-10-03
更新時刻: 2024-11-21 16:30:34 +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

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