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

Katsumi Hagita; Takahiro Murashima; Masao Ogino; Manabu Omiya; Kenji Ono; Tetsuo Deguchi; Hiroshi Jinnai; Toshihiro Kawakatsu

doi:10.1038/s41597-022-01138-3

Scientific Data (Feb 2022)

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

Katsumi Hagita,
Takahiro Murashima,
Masao Ogino,
Manabu Omiya,
Kenji Ono,
Tetsuo Deguchi,
Hiroshi Jinnai,
Toshihiro Kawakatsu

Affiliations

Katsumi Hagita: Department of Applied Physics, National Defense Academy
Takahiro Murashima: Department of Physics, Tohoku University
Masao Ogino: Faculty of Informatics, Daido University
Manabu Omiya: Information Initiative Center, Hokkaido University
Kenji Ono: Research Institute for Information Technology, Kyushu University
Tetsuo Deguchi: Department of Physics, Ochanomizu University
Hiroshi Jinnai: Institute of Multidisciplinary for Advanced Materials, Tohoku University
Toshihiro Kawakatsu: Department of Physics, Tohoku University

DOI: https://doi.org/10.1038/s41597-022-01138-3
Journal volume & issue: Vol. 9, no. 1
pp. 1 – 9

Abstract

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Measurement(s) equilibrated configurations of ring-linear polymer blends Technology Type(s) molecular dynamics simulation Factor Type(s) length of linear and ring polymer Machine-accessible metadata file describing the reported data: https://doi.org/10.6084/m9.figshare.18742097

Published in Scientific Data

ISSN: 2052-4463 (Online)
Publisher: Nature Portfolio
Country of publisher: United Kingdom
LCC subjects: Science
Website: https://www.nature.com/sdata/

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