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A Different Approach to Monte Carlo Simulations in Systems with Complex Free-Energy Landscapes

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Rugged Free Energy Landscapes

Part of the book series: Lecture Notes in Physics ((LNP,volume 736))

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Abstract

We describe a new Monte Carlo algorithm that produces results of high accuracy with reduced simulational effort. In the simplest application of the algorithm, a random walk is performed in energy space, and the resultant density of states is modified continuously to produce a “flat” histogram. This method permits us to directly access the entropy and free energy, is independent of temperature, and is efficient for the study of both first-order and second-order phase transitions as well as complex systems with a rough energy landscape. The method may be extended to random walks in more than one variable.

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Authors and Affiliations

  1. Center for Simulational Physics, The University of Georgia, Athens, GA 30602, USA

    David P. Landau

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  1. David P. Landau
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Landau, D.P. (2008). A Different Approach to Monte Carlo Simulations in Systems with Complex Free-Energy Landscapes. In: Rugged Free Energy Landscapes. Lecture Notes in Physics, vol 736. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-74029-2_13

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