GPU-Accelerated Molecular Dynamics Simulation to Study Liquid Crystal Phase Transition Using Coarse-Grained Gay-Berne Anisotropic Potential

Gay-Berne (GB) potential is regarded as an accurate model in the simulation of anisotropic particles, especially for liquid crystal (LC) mesogens. However, its computational complexity leads to an extremely time-consuming process for large systems. Here, we developed a GPU-accelerated molecular dyna...

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Detalhes bibliográficos
Publicado no:PLoS One
Main Authors: Chen, Wenduo, Zhu, Youliang, Cui, Fengchao, Liu, Lunyang, Sun, Zhaoyan, Chen, Jizhong, Li, Yunqi
Formato: Artigo
Idioma:Inglês
Publicado em: Public Library of Science 2016
Assuntos:
Research Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4795799/
https://ncbi.nlm.nih.gov/pubmed/26986851
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0151704
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