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Title: Wang-Landau Algorithm for Continuous Models and Joint Density of States

Abstract

We present a modified Wang-Landau algorithm for models with continuous degrees of freedom. We demonstrate this algorithm with the calculation of the joint density of states of ferromagnet Heisenberg models and a model polymer chain. The joint density of states contains more information than the density of states of a single variable-energy, but is also much more time consuming to calculate. We present strategies to significantly speed up this calculation for large systems over a large range of energy and order parameter.

Authors:
 [1];  [1];  [2];  [3]
  1. ORNL
  2. Universitat Osnabruck, Germany
  3. UGA
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1003262
DOE Contract Number:  
DE-AC05-00OR22725
Resource Type:
Journal Article
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 96; Journal Issue: 12; Journal ID: ISSN 0031--9007
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ALGORITHMS; DEGREES OF FREEDOM; HEISENBERG MODEL; ORDER PARAMETERS; POLYMERS; VELOCITY

Citation Formats

Zhou, Chenggang, Schulthess, Thomas C, Torbrugge, S., and Landau, D. P. Wang-Landau Algorithm for Continuous Models and Joint Density of States. United States: N. p., 2006. Web. doi:10.1103/PhysRevLett.96.120201.
Zhou, Chenggang, Schulthess, Thomas C, Torbrugge, S., & Landau, D. P. Wang-Landau Algorithm for Continuous Models and Joint Density of States. United States. https://doi.org/10.1103/PhysRevLett.96.120201
Zhou, Chenggang, Schulthess, Thomas C, Torbrugge, S., and Landau, D. P. 2006. "Wang-Landau Algorithm for Continuous Models and Joint Density of States". United States. https://doi.org/10.1103/PhysRevLett.96.120201.
@article{osti_1003262,
title = {Wang-Landau Algorithm for Continuous Models and Joint Density of States},
author = {Zhou, Chenggang and Schulthess, Thomas C and Torbrugge, S. and Landau, D. P.},
abstractNote = {We present a modified Wang-Landau algorithm for models with continuous degrees of freedom. We demonstrate this algorithm with the calculation of the joint density of states of ferromagnet Heisenberg models and a model polymer chain. The joint density of states contains more information than the density of states of a single variable-energy, but is also much more time consuming to calculate. We present strategies to significantly speed up this calculation for large systems over a large range of energy and order parameter.},
doi = {10.1103/PhysRevLett.96.120201},
url = {https://www.osti.gov/biblio/1003262}, journal = {Physical Review Letters},
issn = {0031--9007},
number = 12,
volume = 96,
place = {United States},
year = {Sun Jan 01 00:00:00 EST 2006},
month = {Sun Jan 01 00:00:00 EST 2006}
}