Replica Exchange Molecular Dynamics Simulations of Coarse-Grained Polymethylmethacrylate Chains
Keyword(s):
Replica exchange molecular dynamics simulations of coarse-grained poly- methylmethacrylate(PMMA) chains are performed. The coarse-grained force field for PMMA is developed based on the Iterative Boltzmann Inversion method. The proposed coarse-grained model, successfully reproduced the properties of the polymer melts (especially the melting point) obtained from atomistic simulations /experimental values, opens the door to the determination of the melting point of larger polymers.
2009 ◽
Vol 113
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pp. 267-274
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2008 ◽
Vol 112
(47)
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pp. 15064-15073
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2017 ◽
Vol 86
(3)
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pp. 279-300
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2011 ◽
Vol 7
(3)
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pp. 753-760
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2020 ◽
Vol 16
(6)
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pp. 3699-3711
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