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Filtering by: Author Ayako Nakata Remove constraint Author: Ayako Nakata Keyword First-principles calculations Remove constraint Keyword: First-principles calculations

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Large-scale DFT calculations of multi-component glass systems (SiO2)0.70(Al2O3)0.13(XO)0.17 (X = Mg, Ca, Sr, Ba) : Accuracy of classical force fields

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Publication1

Keyword

Classical force fields1
First-principles calculations[remove]1
Large-scale DFT1
Molecular dynamics simulations1
Multi-component glass1

Language

English1

Publisher

Elsevier BV1

Resource type

Article1

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open1

Rights Statement Sim

Creative Commons BY Attribution 4.0 International1

Author

Atsuki Saito1
Atsushi Tanaka1
Ayako Nakata[remove]1
Takashi Murata1
Tsuyoshi Miyazaki1

Funder

JASRI1
MEXT, Japan and JSPS Grant-in-Aid1

Journal

Journal of Non-Crystalline Solids1

National Institute for Materials Science

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