Optimized multicanonical simulations: A proposal based on classical fluctuation theory

J. Viana Lopes, Miguel D. Costa, J. M. B. Lopes dos Santos, and R. Toral
Phys. Rev. E 74, 046702 – Published 5 October 2006

Abstract

We propose a recursive procedure to estimate the microcanonical density of states in multicanonical Monte Carlo simulations which relies only on measurements of moments of the energy distribution, avoiding entirely the need for energy histograms. This method yields directly a piecewise analytical approximation to the microcanonical inverse temperature β(E) and allows improved control over the statistics and efficiency of the simulations. We demonstrate its utility in connection with recently proposed schemes for improving the efficiency of multicanonical sampling, either with adjustment of the asymptotic energy distribution or with the replacement of single spin flip dynamics with collective updates.

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  • Received 26 May 2006

DOI:https://doi.org/10.1103/PhysRevE.74.046702

©2006 American Physical Society

Authors & Affiliations

J. Viana Lopes

  • Centro de Física do Porto and Departamento de Física, Faculdade de Ciências, Universidade do Porto, 4169-007 Porto, Portugal and Departamento de Física, Instituto Superior de Engenharia, Instituto Politécnico do Porto, Porto, Portugal

Miguel D. Costa and J. M. B. Lopes dos Santos

  • Centro de Física do Porto and Departamento de Física, Faculdade de Ciências, Universidade do Porto, 4169-007 Porto, Portugal

R. Toral

  • Instituto Mediterráneo de Estudios Avanzados IMEDEA (CSIC-UIB), Edificio Mateu Orfila, Campus UIB, E-07122 Palma de Mallorca, Spain

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Issue

Vol. 74, Iss. 4 — October 2006

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