Coarse grain models and the computer simulation of soft materials

被引:405
作者
Nielsen, SO
Lopez, CF
Srinivas, G
Klein, ML [1 ]
机构
[1] Univ Penn, Ctr Mol Modeling, Philadelphia, PA 19104 USA
[2] Univ Penn, Dept Chem, Philadelphia, PA 19104 USA
关键词
D O I
10.1088/0953-8984/16/15/R03
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
This article presents a topical review of coarse grain simulation techniques. First, we motivate these techniques with illustrative examples from biology and materials science. Next, approaches in the literature for increasing the efficiency of atomistic simulations are mentioned. Considerations related to a specific coarse grain modelling approach are discussed at length, and the consequences arising from the loss of detail are given. Finally, a large number of results are presented to give the reader a feeling for the types of problem which can be addressed.
引用
收藏
页码:R481 / R512
页数:32
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