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Wiley-VCH Verlag, Macromolecular Theory and Simulations, 1(13), p. 36-43

DOI: 10.1002/mats.200350040

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Multiple histogram method and static Monte Carlo sampling

Journal article published in 2004 by Márcia A. Inda ORCID, Daan Frenkel
This paper is available in a repository.
This paper is available in a repository.

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Abstract

We describe an approach to use multiple-histogram methods in combination with static, biased Monte Carlo simulations. To illustrate this, we computed the force-extension curve of an athermal polymer from multiple histograms constructed in a series of static Rosenbluth Monte Carlo simulations. From the complete histogram of the distribution function of the end-to-end vectors of the polymer chain, we can efficiently compute the polymer force-extension curve.