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Title: Replica‐Exchange Wang‐Landau Sampling: Pushing the Limits of Monte Carlo Simulations in Materials Sciences

Abstract

Not provided.

Authors:
; ; ; ; ;
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1567501
Resource Type:
Conference
Journal Name:
Computer Physics Communications
Additional Journal Information:
Journal Volume: 233; Conference: The Minerals, Metals & Materials Society: TMS2015 Supplemental Proceedings, Orlando, Florida, 15-19 March, 2015.
Country of Publication:
United States
Language:
English

Citation Formats

Perera, Dilina, Li, Ying Wai, Eisenbach, Markus, Vogel, Thomas, Landau, David P., and Boer, A. Replica‐Exchange Wang‐Landau Sampling: Pushing the Limits of Monte Carlo Simulations in Materials Sciences. United States: N. p., 2015. Web. doi:10.1002/9781119093466.ch98.
Perera, Dilina, Li, Ying Wai, Eisenbach, Markus, Vogel, Thomas, Landau, David P., & Boer, A. Replica‐Exchange Wang‐Landau Sampling: Pushing the Limits of Monte Carlo Simulations in Materials Sciences. United States. doi:10.1002/9781119093466.ch98.
Perera, Dilina, Li, Ying Wai, Eisenbach, Markus, Vogel, Thomas, Landau, David P., and Boer, A. Mon . "Replica‐Exchange Wang‐Landau Sampling: Pushing the Limits of Monte Carlo Simulations in Materials Sciences". United States. doi:10.1002/9781119093466.ch98.
@article{osti_1567501,
title = {Replica‐Exchange Wang‐Landau Sampling: Pushing the Limits of Monte Carlo Simulations in Materials Sciences},
author = {Perera, Dilina and Li, Ying Wai and Eisenbach, Markus and Vogel, Thomas and Landau, David P. and Boer, A.},
abstractNote = {Not provided.},
doi = {10.1002/9781119093466.ch98},
journal = {Computer Physics Communications},
number = ,
volume = 233,
place = {United States},
year = {2015},
month = {2}
}

Conference:
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Works referenced in this record:

Equation of State Calculations by Fast Computing Machines
journal, June 1953

  • Metropolis, Nicholas; Rosenbluth, Arianna W.; Rosenbluth, Marshall N.
  • The Journal of Chemical Physics, Vol. 21, Issue 6
  • DOI: 10.1063/1.1699114

Exchange Monte Carlo Method and Application to Spin Glass Simulations
journal, June 1996

  • Hukushima, Koji; Nemoto, Koji
  • Journal of the Physical Society of Japan, Vol. 65, Issue 6
  • DOI: 10.1143/JPSJ.65.1604

Multicanonical ensemble: A new approach to simulate first-order phase transitions
journal, January 1992


Efficient, Multiple-Range Random Walk Algorithm to Calculate the Density of States
journal, March 2001


A new approach to Monte Carlo simulations in statistical physics: Wang-Landau sampling
journal, October 2004

  • Landau, D. P.; Tsai, Shan-Ho; Exler, M.
  • American Journal of Physics, Vol. 72, Issue 10
  • DOI: 10.1119/1.1707017

Dynamics of the Wang–Landau algorithm and complexity of rare events for the three-dimensional bimodal Ising spin glass
journal, July 2004

  • Alder, Simon; Trebst, Simon; Hartmann, Alexander K.
  • Journal of Statistical Mechanics: Theory and Experiment, Vol. 2004, Issue 07
  • DOI: 10.1088/1742-5468/2004/07/P07008

Potential of mean force between a spherical particle suspended in a nematic liquid crystal and a substrate
journal, October 2002

  • Kim, Evelina B.; Faller, Roland; Yan, Qiliang
  • The Journal of Chemical Physics, Vol. 117, Issue 16
  • DOI: 10.1063/1.1508365

Phase transitions of a single polymer chain: A Wang–Landau simulation study
journal, September 2009

  • Taylor, Mark P.; Paul, Wolfgang; Binder, Kurt
  • The Journal of Chemical Physics, Vol. 131, Issue 11
  • DOI: 10.1063/1.3227751

Monte Carlo simulation of proteins through a random walk in energy space
journal, April 2002

  • Rathore, Nitin; de Pablo, Juan J.
  • The Journal of Chemical Physics, Vol. 116, Issue 16
  • DOI: 10.1063/1.1463059

Understanding and improving the Wang-Landau algorithm
journal, August 2005


Fast algorithm to calculate density of states
journal, April 2007


Generic, Hierarchical Framework for Massively Parallel Wang-Landau Sampling
journal, May 2013


Scalable replica-exchange framework for Wang-Landau sampling
journal, August 2014


Effect of lattice vibrations on magnetic phase transition in bcc iron
journal, December 2012


Large-scale simulation of the spin-lattice dynamics in ferromagnetic iron
journal, July 2008


Wang-Landau Algorithm for Continuous Models and Joint Density of States
journal, March 2006


Molecular Dynamics in the Multicanonical Ensemble: Equivalence of Wang–Landau Sampling, Statistical Temperature Molecular Dynamics, and Metadynamics
journal, April 2014

  • Junghans, Christoph; Perez, Danny; Vogel, Thomas
  • Journal of Chemical Theory and Computation, Vol. 10, Issue 5
  • DOI: 10.1021/ct500077d

Well-Tempered Metadynamics Converges Asymptotically
journal, June 2014