Abstract
Polymers in solution can form interesting structures which can enhance the properties of a system. These properties are generally temperature dependent. Monte Carlo simulations provide an effective approach at studying large systems of polymers except that they are limited by the temperature of the system. With decreasing temperatures the required CPU time for a simulation, which is usually not known a priori, can increase dramatically. We perform Monte Carlo simulations of polymers in solution and observe the properties of the systems as a function of the temperature. We describe how the efficiency of the algorithm is increased by determining the required duration of the simulation from a statistical analysis of the properties of the system which can be done without compromising the efficiency of the algorithm.
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© 2002 Kluwer Academic Publishers
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Pépin, M.P., Whitmore, M.D., Slater, G. (2002). Monte Carlo Simulations of Polymers in Solution. In: Pollard, A., Mewhort, D.J.K., Weaver, D.F. (eds) High Performance Computing Systems and Applications. The International Series in Engineering and Computer Science, vol 541. Springer, Boston, MA. https://doi.org/10.1007/0-306-47015-2_48
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DOI: https://doi.org/10.1007/0-306-47015-2_48
Publisher Name: Springer, Boston, MA
Print ISBN: 978-0-7923-7774-0
Online ISBN: 978-0-306-47015-8
eBook Packages: Springer Book Archive