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Phase transitions are ubiquitous phenomena, exemplified by the melting of ice and spontaneous magnetization of magnetic material. In general, a phase transition is associated with a symmetry breaking of a system; occurs due to the…

Statistical Mechanics · Physics 2015-12-25 Tasrief Surungan , Yukihiro Komura , Yutaka Okabe

The three-dimensional bimodal random-field Ising model is studied via a new finite temperature numerical approach. The methods of Wang-Landau sampling and broad histogram are implemented in a unified algorithm by using the N-fold version of…

Statistical Mechanics · Physics 2008-02-01 Nikolaos G. Fytas , Anastasios Malakis

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

The thermodynamic properties of systems with long-range interactions is still an ongoing challenge, both from the point of view of theory as well as computer simulation. In this work we study a model system, a Coulomb gas confined inside a…

Statistical Mechanics · Physics 2020-11-04 Sergio Davis , Jalaj Jain , Biswajit Bora

Wang-Landau sampling (WLS) of large systems requires dividing the energy range into "windows" and joining the results of simulations in each window. The resulting density of states (and associated thermodynamic functions) are shown to…

Statistical Mechanics · Physics 2009-11-13 A. G. Cunha-Netto , A. A. Caparica , Shan-Ho Tsai , Ronald Dickman , D. P. Landau

By combining two generalized-ensemble algorithms, Replica-Exchange Wang-Landau (REWL) method and Multicanonical Replica-Exchange Method (MUCAREM), we propose an effective simulation protocol to determine the density of states with high…

Statistical Mechanics · Physics 2019-10-23 Takuya Hayashi , Yuko Okamoto

We considered a higher-dimensional extension for the replica-exchange Wang-Landau algorithm to perform a random walk in the energy and magnetization space of the two-dimensional Ising model. This hybrid scheme combines the advantages of…

We present a novel method for the calculation of the energy density of states D(E) for systems described by classical statistical mechanics. The method builds on an extension of a recently proposed strategy that allows the free energy…

Statistical Mechanics · Physics 2009-11-10 Cristian Micheletti , Alessandro Laio , Michele Parrinello

Using both the exact enumeration method (microcanonical transfer matrix) for a small system (L = 9) and the Wang-Landau Monte Carlo algorithm for large systems to L = 30, we obtain the exact and approximate densities of states g(M,E), as a…

Statistical Mechanics · Physics 2015-05-14 Chi-Ok Hwang , Seung-Yeon Kim

Triangulations are important objects of study in combinatorics, finite element simulations and quantum gravity, where its entropy is crucial for many physical properties. Due to their inherent complex topological structure even the number…

Computational Physics · Physics 2015-03-05 Johannes F. Knauf , Benedikt Krüger , Klaus Mecke

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

We derive a formula that expresses the density of states of a system with continuous degrees of freedom as a function of microcanonical averages of squared gradient and Laplacian of the Hamiltonian. This result is then used to propose a…

Statistical Mechanics · Physics 2023-12-01 Stefan Schnabel , Wolfhard Janke

We report a new multicanonical Monte Carlo (MC) algorithm to obtain the density of states (DOS) for physical systems with continuous state variables in statistical mechanics. Our algorithm is able to obtain an analytical form for the DOS…

Computational Physics · Physics 2017-07-25 Ying Wai Li , Markus Eisenbach

We presented an efficient algorithm, fast adaptive flat-histogram ensemble (FAFE), to estimate the density of states (DOS) and to enhance sampling in large systems. FAFE calculates the means of an arbitrary extensive variable $U$ in…

Statistical Mechanics · Physics 2008-11-13 Xin Zhou , Yi Jiang

The Wang-Landau algorithm aims at sampling from a probability distribution, while penalizing some regions of the state space and favoring others. It is widely used, but its convergence properties are still unknown. We show that for some…

Statistics Theory · Mathematics 2015-03-19 Pierre E. Jacob , Robin J. Ryder

We analyze the convergence properties of the Wang-Landau algorithm. This sampling method belongs to the general class of adaptive importance sampling strategies which use the free energy along a chosen reaction coordinate as a bias. Such…

Probability · Mathematics 2013-09-27 Gersende Fort , Benjamin Jourdain , Estelle Kuhn , Tony Lelièvre , Gabriel Stoltz

We provide a brief overview of approaches for calculating the density of states of quantum systems and random matrix Hamiltonians using the tools of free probability theory. For a given Hamiltonian of a quantum system or a generic random…

Quantum Physics · Physics 2025-12-04 Keun-Young Kim , Kuntal Pal

When studying high-dimensional dynamical systems such as macromolecules, quantum systems and polymers, a prime concern is the identification of the most probable states and their stationary probabilities or free energies. Often, these…

Data Analysis, Statistics and Probability · Physics 2013-01-01 Hao Wu , Frank Noé

We introduce a rejection-free, flat histogram, cluster algorithm to determine the density of states of hard-core lattice gases. We show that the algorithm is able to efficiently sample low entropy states that are usually difficult to…

Statistical Mechanics · Physics 2021-11-01 Asweel Ahmed A. Jaleel , Jetin E. Thomas , Dipanjan Mandal , Sumedha , R. Rajesh

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