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Numerical Comparison Of Wang–Landau Sampling And Parallel Tempering For Met-Enkephalin

Author

Listed:
  • C. JUNGHANS

    (John von Neumann Institute for Computing, Forschungszentrum Jülich, 52425 Jülich, Germany;
    Institut für Theoretische Physik, Universität Leipzig, 04109 Leipzig, Germany)

  • U. H. E. HANSMANN

    (John von Neumann Institute for Computing, Forschungszentrum Jülich, 52425 Jülich, Germany;
    Department of Physics, Michigan technological University, Houghton, MI 49931, USA)

Abstract

We compare the efficiency of two prominent techniques for simulation of complex systems: parallel tempering and Wang–Landau sampling. We show that both methods are of comparable efficiency but are optimized for different platforms. Parallel tempering should be chosen on multi-processor system while Wang–Landau sampling is easier to implement on a single-processor computer.

Suggested Citation

  • C. Junghans & U. H. E. Hansmann, 2006. "Numerical Comparison Of Wang–Landau Sampling And Parallel Tempering For Met-Enkephalin," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 17(06), pages 817-824.
    • Handle: RePEc:wsi:ijmpcx:v:17:y:2006:i:06:n:s012918310600931x
    DOI: 10.1142/S012918310600931X
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