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Filtering by: Funder JASRI Remove constraint Funder: JASRI 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

Visibility

open1

Rights Statement Sim

Creative Commons BY Attribution 4.0 International1

Author

Atsuki Saito1
Atsushi Tanaka1
Ayako Nakata1
Takashi Murata1
Tsuyoshi Miyazaki1

Funder

JASRI[remove]1
MEXT, Japan and JSPS Grant-in-Aid1

Journal

Journal of Non-Crystalline Solids1

National Institute for Materials Science

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