Improved Wang-Landau sampling through the use of smoothed potential-energy surfaces.

Keywords

Convergence (economics), Statistical physics, Landau quantization, Energy (signal processing), Sampling (signal processing)

References

• Metropolis Algorithms in Generalized EnsembleYuko Okamoto — 2003
• Flat histogram methods for quantum systems: algorithms to overcome tunneling problems and calculate the free energy.Matthias Troyer, Stefan Weßel, Fabien Alet — 2002
• Determining the density of states for classical statistical models: a random walk algorithm to produce a flat histogram.Fugao Wang, D. P. Landau — 2001
• MONTE CARLO SIMULATION OF A FIRST-ORDER TRANSITION FOR PROTEIN FOLDINGMing‐Hong Hao, Harold A. Scheraga — 1994
• Algorithmic aspects of multicanonical simulationsBernd A. Berg — 1997
• Monte Carlo simulations in generalized isobaric-isothermal ensembles.Hisashi Okumura, Yuko Okamoto — 2004
• Possible generalization of Boltzmann-Gibbs statisticsConstantino Tsallis — 1988
• Introduction To Modern Statistical MechanicsDavid Chandler, J. K. Percus — 1987
• On the multiple-minima problem in the conformational analysis of molecules: deformation of the potential energy hypersurface by the diffusion equation methodLucjan Piela, Jarosław Kostrowicki, Harold A. Scheraga — 1989
• Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella samplingG. M. Torrie, J. P. Valleau — 1977
• Determination of multicanonical weight based on a stochastic model of sampling dynamics.Jae Gil Kim, Yoshifumi Fukunishi, Akinori Kidera — 2003
• Efficient, multiple-range random walk algorithm to calculate the density of states.Fugao Wang, D. P. Landau — 2000
• Configurational temperature density of states simulations of proteins.Nitin Rathore, Thomas A. Knotts, Juan Pablo — 2003
• Monte Carlo simulation of proteins through a random walk in energy spaceNitin Rathore, Juan Pablo — 2002
• Replica-exchange method using the generalized effective potential.Soonmin Jang, Seokmin Shin, Youngshang Pak — 2003
• Multicanonical algorithms for first order phase transitionsBernd A. Berg, Thomas Neuhaus — 1991
• Structure and energy landscape of a photoswitchable peptide: A replica exchange molecular dynamics studyPhuong H. Nguyen, Yuguang Mu, Gerhard Stock — 2005
• On Monte Carlo and molecular dynamics methods inspired by Tsallis statistics: Methodology, optimization, and application to atomic clustersIoan Andricioaei, John E. Straub — 1997
• Performance of the diffusion equation method in searches for optimum structures of clusters of Lennard-Jones atomsJarosław Kostrowicki, Lucjan Piela, Binny J. Cherayil — 1991
• Generalized ensemble simulations for complex systemsBernd A. Berg — 2001

Cited by

• The thermodynamics of charged defects in ionic crystalsRobert Horton — 2013
• Non -Boltzmann sampling for the accurate calculation of peptide-surface adsorption free energyFeng Wang — 2007
• Simple and effective application of the Wang-Landau method for multicanonical molecular dynamics simulation.Hiromitsu Shimoyama, Haruki Nakamura, Yasushige Yonezawa — 2011
• Lumping analysis for the prediction of long-time dynamics: from monomolecular reaction systems to inherent structure dynamics of glassy materials.Nikolaos Lempesis, Dimitrios G. Tsalikis, Georgios C. Boulougouris — 2011
• Computational applications of nonextensive statistical mechanicsConstantino Tsallis — 2009
• Some comments on Monte Carlo and molecular dynamics methodsMichael P. Allen, David Quigley — 2013

Related papers

• Effective Interaction Potentials in the Uppermost Landau LevelOrion Ciftja, Jorge Quintanilla — 2010
• Observation of unconventional splitting of Landau levels in strained grapheneSiyu Li, Ke-Ke Bai, Long‐Jing Yin — 2015
• Antilevitation of Landau levels in vanishing magnetic fieldsW. Pan, K. W. Baldwin, K. W. West — 2016
• Anisotropy in a high Landau level due to effective electron-electron interactionsOrion Ciftja — 2013
• Quantum Hall states in higher Landau levelsJakob Yngvason — 2022
• Correlated states of two-dimensional electrons in higher Landau levelsShi-Jie Yang, Zhi Tao, Yue Yu — 2006
• Landau level density of states through specific heat in GaAs/GaAlAs multilayersE. Gornik, R. Lassnig, G. Strasser — 1986
• The Landau level density of states as a function of Fermi energy in the two dimensional electron gasR. C. Ashoori, R. H. Silsbee — 1992
• Effect of Line Defects on the Band Structures, Local Density of States, and the Landau Levels for Armchair Graphene Nanoribbons in the Quantum Hall Effect RegimeAruna Gupta, Niladri Sarkar — 2023