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
- Journal article
- Creator
-
;Atsushi Tanaka (author) (Search by this author);Atsuki Saito (author) (Search by this author);Takashi Murata (author) (Search by this author)Ayako Nakata (author) (Search by this author)National Institute for Materials Science
;
Tsuyoshi Miyazaki (author) (Search by this author)National Institute for Materials Science
- Keyword
- Multi-component glass, First-principles calculations, Large-scale DFT, Classical force fields, Molecular dynamics simulations
- Date published
- 2023-11-25
- Updated at
- 2024-03-05 16:30:21 +0900
Reactive molecular dynamics simulation on DNA double-strand breaks induced by hydrogen elimination
- Journal article
- Creator
-
Hiroaki Nakamura (author) (Search by this author)
https://orcid.org/0000-0002-0593-8810
(unauthenticated)
;
;Kento Ishiguro (author) (Search by this author)Ayako Nakata (author) (Search by this author)National Institute for Materials Science
;
;Shunsuke Usami (author) (Search by this author)Seiki Saito (author) (Search by this author)
https://orcid.org/0000-0002-0332-8189
(unauthenticated)
;
Susumu Fujiwara (author) (Search by this author) - Keyword
- strand breaks, telomeric DNA, β-decay, Molecular dynamics simulations, reactive force field
- Date published
- 2024-12-02
- Updated at
- 2025-12-10 08:30:41 +0900