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First-principles calculation (11)
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キーワード: First-principles calculation
全ての絞り込みを解除
11 件のレコードが見つかりました。 11件目から11件目まで表示します。
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TOAST: Template Oriented Atomic Simulation Toolkit
データセット
著者
XU, Yibin
(author) (
この著者で検索
)
https://orcid.org/0000-0001-8600-8748
NIMS Researchers Directory SAMURAI
XU, Yibin
;
ARAI, Masao
(author) (
この著者で検索
)
https://orcid.org/0000-0003-0088-5649
NIMS Researchers Directory SAMURAI
ARAI, Masao
キーワード
CompES-X
,
toolkit
,
First-principles calculation
,
atomic simulation
刊行年月日
2020-11-20
更新時刻
2022-10-03 01:26:50 +0900
キーワード
First-principles calculation
(11)
Phonon
(2)
Anharmonicity
(1)
Antiperovskite
(1)
Biomedical
(1)
Clathrates
(1)
CompES-X
(1)
Compound semiconductor
(1)
Co–Cr alloy
(1)
Curie temperature
(1)
Debye model
(1)
Deformation mechanism
(1)
Diamond
(1)
Energy loss function
(1)
Four-phonon scattering
(1)
Grain boundary segregation
(1)
Heusler alloys
(1)
High entropy alloy
(1)
Inelastic mean free paths
(1)
Lattice thermal conductivity
(1)
Machine-learning potential
(1)
Magnesium alloy
(1)
Magnetic anisotropy energy
(1)
Mechanical properties
(1)
Metal nanoparticles
(1)
Optical constant
(1)
Self-consistent phonon theory
(1)
Sommerfeld model
(1)
Special quasi-random structure
(1)
Stacking fault energy
(1)
Surface energy
(1)
Thermal conductivity
(1)
Thermoelectric properties
(1)
Transfer learning
(1)
Winterbottom construction
(1)
Wulff construction
(1)
atomic simulation
(1)
quasi-harmonic vibrational contribution
(1)
titanium alloys
(1)
toolkit
(1)
RDEメタデータ定義
RDE送り状
<
1
2
>
絞り込み
コレクション
資源タイプ
ジャーナル論文(8)
データセット(3)
キーワード
First-principles calculation (11)
Phonon (2)
Anharmonicity (1)
Antiperovskite (1)
Biomedical (1)
Clathrates (1)
CompES-X (1)
Compound semiconductor (1)
Co–Cr alloy (1)
Curie temperature (1)
(more)
ライセンス
Creative Commons BY Attribution 4.0 International (4)
Creative Commons BY-NC-ND Attribution-NonCommercial-NoDerivs 4.0 International (3)
Creative Commons BY-NC Attribution-NonCommercial 4.0 International (1)
http://opensource.org/licenses/MIT (1)
In Copyright (1)
ファイル種別
application/pdf (8)
application/gzip (1)
application/vnd.openxmlformats-officedocument.wordprocessingml.document (1)
application/x-xz (1)
application/zip (1)
text/markdown (1)