Efficient compressed database of equilibrated configurations of ring-linear polymer blends for MD simulations

To effectively archive configuration data during molecular dynamics (MD) simulations of polymer systems, we present an efficient compression method with good numerical accuracy that preserves the topology of ring-linear polymer blends. To compress the fraction of floating-point data, we used the Joi...

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Detalles Bibliográficos
Autores principales: Hagita, Katsumi, Murashima, Takahiro, Ogino, Masao, Omiya, Manabu, Ono, Kenji, Deguchi, Tetsuo, Jinnai, Hiroshi, Kawakatsu, Toshihiro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Data Descriptor
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8825841/
https://www.ncbi.nlm.nih.gov/pubmed/35136085
http://dx.doi.org/10.1038/s41597-022-01138-3

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8825841/
https://www.ncbi.nlm.nih.gov/pubmed/35136085
http://dx.doi.org/10.1038/s41597-022-01138-3

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