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Efficient, Multiple-Range Random Walk Algorithm to Calculate the Density of States Export

Physical Review Letters, Vol. 86, No. 10. (5 March 2001), 2050.

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molecular_dynamics monte_carlo

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We present a new Monte Carlo algorithm that produces results of high accuracy with reduced simulational effort. Independent random walks are performed (concurrently or serially) in different; restricted ranges of energy; and the resultant density of states is modified continuously to produce locally flat histograms. This method permits us to directly access the free energy and entropy; is independent of temperature; and is efficient for the study of both 1st order and 2nd order phase transitions. It should also be useful for the study of complex systems with a rough energy landscape.


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