Coarse grain models and the computer simulation of soft materials

نویسندگان

  • Steve O Nielsen
  • Carlos F Lopez
  • Michael L Klein
چکیده

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. (Some figures in this article are in colour only in the electronic version)

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تاریخ انتشار 2004