Albert H. Widmann, Interdisciplinary Research Centre in Polymer Science and Technology, University of Leeds, UK LS2 9JT ( and Ulrich W. Suter, Institute of Polymers, ETH, Zurich, Switzerland, CH-8092

This video film is intended as an introduction to physicists and chemists who want to learn about the art of Monte Carlo simulation of long chain molecules. The simulation of dense polymer systems is of great importance for the prediction of their physical properties and for a better understanding of the relationship between such properties and the molecular structure of polymers. Monte Carlo techniques are suitable to treat such systems, which possess many different degrees of freedom, because they can apply drastic modifications to chain structures and therefore sample configuration space efficiently. Some of the best known Monte Carlo algorithms will be explained and their difficulties in handling long-chain molecules illustrated by comparing the simulation efficiencies with various polymer models. Results of simulations to compute pVT properties of dense systems of long-chain alkanes with explicit hydrogens are presented.

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