Computer Simulation of Polymers

A computer simulation of materials is a rapidly developing process. This text takes a detailed look at the problems involved. Assuming a background knowledge of the subject, the broad coverage includes: time and size scaling; atomistic modelling; coarse-grained models and more.

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The "Polymer Science and Technology Series" systematically covers a wide range of key areas in polymer technology. Each volume in the series focuses on an individual area of importance in the polymer industry and is edited by acknowledged experts in the field. It takes a detailed look at the complex problems of time and size scaling in molecular modelling and simulation and includes not only atomistic modelling, but also coarse-grained modelling which allows longer time-scales and therefore, larger systems to be studied. Coverage includes applications of: molecular modelling; molecular dynamics and Monte Carlo methods (statistical methods of modelling using random sampling). The book assumes a background knowledge of synthetic polymer properties and simulation.