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Monte Carlo simulations using Wang-Landau sampling are performed to study three-dimensional chains of homopolymers on a lattice. We confirm the accuracy of the method by calculating the thermodynamic properties of this system. Our results…

Statistical Mechanics · Physics 2016-08-16 A. G. Cunha Netto , C. J. Silva , A. A. Caparica , R. Dickman

Wang and Landau proposed recently, a simple and flexible non-Boltzmann Monte Carlo method for estimating the density of states, from which the macroscopic properties of a closed system can be calculated. They demonstrated their algorithm by…

Statistical Mechanics · Physics 2009-11-11 D. Jayasri , V. S. S. Sastry , K. P. N. Murthy

We present a rigorous derivation for off-lattice implementations of the so-called "random-walk" algorithm recently introduced by Wang and Landau [PRL 86, 2050 (2001)]. Originally developed for discrete systems, the algorithm samples…

Statistical Mechanics · Physics 2009-11-07 M. S. Shell , P. G. Debenedetti , A. Z. Panagiotopoulos

We review recent advances in the analysis of the Wang--Landau algorithm, which is designed for the direct Monte Carlo estimation of the density of states (DOS). In the case of a discrete energy spectrum, we present an approach based on…

Statistical Mechanics · Physics 2019-10-02 L. N. Shchur

Metropolis algorithm has been extensively employed for simulating a canonical ensemble and estimating macroscopic properties of a closed system at any desired temperature. A mechanical property, like energy can be calculated by averaging…

Statistical Mechanics · Physics 2017-09-28 K. P. N. Murthy

The Wang-Landau (WL) algorithm has been widely used for simulations in many areas of physics. Our analysis of the WL algorithm explains its properties and shows that the difference of the largest eigenvalue of the transition matrix in the…

Statistical Mechanics · Physics 2017-10-19 L. Yu. Barash , M. A. Fadeeva , L. N. Shchur

While statisticians are well-accustomed to performing exploratory analysis in the modeling stage of an analysis, the notion of conducting preliminary general-purpose exploratory analysis in the Monte Carlo stage (or more generally, the…

Computation · Statistics 2012-06-15 Luke Bornn , Pierre Jacob , Pierre Del Moral , Arnaud Doucet

An algorithm to calculate the density of states, based on the well-known Wang-Landau method, is introduced. Independent random walks are performed in different restricted ranges of energy, and the resultant density of states is modified by…

Statistical Mechanics · Physics 2015-06-25 R. E. Belardinelli , V. D. Pereyra

We present modified Wang-Landau algorithm for models with continuous degrees of freedom. We demonstrate this algorithm with the calculation of the joint density of states $g(M,E)$ of ferromagnet Heisenberg models. The joint density of…

Statistical Mechanics · Physics 2009-11-11 Chenggang Zhou , T. C. Schulthess , Stefan Torbrügge , D. P. Landau

A generalized approach to Wang-Landau simulations, macroscopically constrained Wang-Landau, is proposed to simulate the density of states of a system with multiple macroscopic order parameters. The method breaks a multidimensional…

Statistical Mechanics · Physics 2017-05-11 Chor-Hoi Chan , Gregory Brown , Per Arne Rikvold

We demonstrate a method to solve a general class of random matrix ensembles numerically. The method is suitable for solving log-gas models with biorthogonal type two-body interactions and arbitrary potentials. We reproduce standard results…

Mathematical Physics · Physics 2020-10-21 Kazi Alam , Swapnil Yadav , K. A. Muttalib

We implement a Wang-Landau sampling technique in quantum Monte Carlo (QMC) for the purpose of calculating the Renyi entanglement entropies and associated mutual information. The algorithm converges an estimate for an analogue to the density…

Statistical Mechanics · Physics 2013-01-23 Stephen Inglis , Roger G. Melko

Monte Carlo simulation using the Wang-Landau algorithm has been performed in an one-dimensional Lebwohl-Lasher model. Both one-dimensional and two-dimensional random walks have been carried out. The results are compared with the exact…

Statistical Mechanics · Physics 2009-11-13 Kisor Mukhopadhyay , Nababrata Ghoshal , Soumen Kumar Roy

Monte Carlo simulation has been performed in one-dimensional Lebwohl-Lasher model and two dimensional XY-model using the Wang-Landau and the Wang-Landau-Transition-Matrix Monte Carlo methods. Random walk has been performed in the…

Statistical Mechanics · Physics 2010-05-27 Shyamal Bhar , Soumen Kumar Roy

We introduce a generic, parallel Wang-Landau method that is naturally suited to implementation on massively parallel, petaflop supercomputers. The approach introduces a replica-exchange framework in which densities of states for overlapping…

Computational Physics · Physics 2015-06-18 Ying Wai Li , Thomas Vogel , Thomas Wüst , David P. Landau

We develop an approach to apply Wang-Landau algorithm to multicomponent alloys in semi-grand-canonical ensemble. Although the Wang-Landau algorithm has great advantages over conventional sampling methods, there are few applications to…

Materials Science · Physics 2017-10-18 Kazuhito Takeuchi , Ryohei Tanaka , Koretaka Yuge

Using Wang-landau algorithm combined with analytic method, the density of states of two dimensional XY model on square lattices of sizes $16\times16$, $24\times24$ and $32\times32$ is accurately calculated. Thermodynamic quantities, such as…

Statistical Mechanics · Physics 2010-03-16 Jun Xu , H. R. Ma

It is shown in this work how the Wang-Landau algorithm can be parallelized through the concept of the micromagnetic ensemble, when the Hamiltonian contains both spin interaction and the external field terms, and thus energy-magnetization…

Statistical Mechanics · Physics 2013-02-12 Borko Stosic

We present an efficient Monte Carlo algorithm for determining the density of states which is based on the statistics of transition probabilities between states. By measuring the infinite temperature transition probabilities--that is, the…

Soft Condensed Matter · Physics 2009-11-10 M. S. Shell , P. G. Debenedetti , A. Z. Panagiotopoulos

Monte Carlo algorithms such as the Wang-Landau algorithm and similar `entropic' methods are able to accurately sample the density of states of model systems and thereby give access to thermal equilibrium properties at any temperature.…

Statistical Mechanics · Physics 2014-01-28 Daniele Barettin , Paolo Sibani
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