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Generalized-ensemble Monte carlo method for systems with rough energy landscape

Ulrich H. E. Hansmann·Yuko Okamoto
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Abstract

We present a novel Monte Carlo algorithm which enhances equilibrization of low-temperature simulations and allows sampling of configurations over a large range of energies. The method is based on a non-Boltzmann probability weight factor and is another version of the so-called generalized-ensemble techniques. The effectiveness of the new approach is demonstrated for the system of a small peptide, an example of the frustrated system with a rugged energy landscape.

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Ulrich H. E. Hansmann, Yuko Okamoto. 1997-10-29. Generalized-ensemble Monte carlo method for systems with rough energy landscape. https://doi.org/10.1103/physreve.56.2228

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