Journal
MRS BULLETIN
Volume 32, Issue 11, Pages 936-940Publisher
SPRINGER HEIDELBERG
DOI: 10.1557/mrs2007.191
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With the guidance offered by nonequilibrium statistical thermodynamics, simulation techniques are elevated from brute-force computer experiments to systematic tools for extracting complete, redundancy-free, and consistent coarse-grained information for dynamic systems. We sketch the role and potential of Monte Carlo, molecular dynamics, and Brownian dynamics simulations in the thermodynamic approach to coarse graining. A melt of entangled linear polyethylene molecules serves us as an illustrative example.
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