An automatic coarse-graining and fine-graining simulation method: application on polyethylene
作者:Li-Jun Chen, Hu-Jun Qian, Zhong-Yuan Lu*, Ze-Sheng Li, Chia-Chung Sun
關鍵字:dissipative particle dynamics; fit structural-properties; simplex optimization; molecular-dynamics; polymer melts; interaction potentials; mesoscopic simulation; field; force; temperature
論文來源:期刊
具體來源:J. Phys. Chem. B, 110(47), 24093-24100, 2006.
發表時間:2006年
An automatic coarse-graining and fine-graining simulation method: application on polyethylene