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An automatic coarse-graining and fine-graining simulation method: application on polyethylene
writer:Li-Jun Chen, Hu-Jun Qian, Zhong-Yuan Lu*, Ze-Sheng Li, Chia-Chung Sun
keywords:dissipative particle dynamics; fit structural-properties; simplex optimization; molecular-dynamics; polymer melts; interaction potentials; mesoscopic simulation; field; force; temperature
source:期刊
specific source:J. Phys. Chem. B, 110(47), 24093-24100, 2006.
Issue time:2006年

An automatic coarse-graining and fine-graining simulation method: application on polyethylene