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We present a temperature-independent Monte Carlo method for the determination of the density of states of lattice proteins that combines the fast ground-state search strategy of the nPERM chain growth and multicanonical reweighting for…

Statistical Mechanics · Physics 2009-11-10 Michael Bachmann , Wolfhard Janke

We propose a flat-histogram Monte Carlo method to efficiently sample fractal landscapes such as escape time functions of open chaotic systems. This is achieved by using a random-walk step which depends on the height of the landscape via the…

Statistical Mechanics · Physics 2013-05-31 Jorge C. Leitão , João M. Viana Parente Lopes , Eduardo G. Altmann

Paying attention to the difference of density of states, \Delta ln g(E) = ln g(E+\Delta E) - ln g(E), we study the convergence of the Wang-Landau method. We show that this quantity is a good estimator to discuss the errors of convergence,…

Statistical Mechanics · Physics 2012-01-10 Yukihiro Komura , Yutaka Okabe

This paper presents, in a unified fashion, deterministic as well as statistical Lagrangian-verification techniques. They formally quantify the behavioral robustness of any time-continuous process, formulated as a continuous-depth model. To…

Machine Learning · Computer Science 2023-08-24 Sophie A. Neubauer , Radu Grosu

We compare the convergence of several flat-histogram methods applied to the 2D Ising model, including the recently introduced stochastic approximation with a dynamic update factor (SAD) method. We compare this method with the Wang-Landau…

Statistical Mechanics · Physics 2020-09-23 Jordan K. Pommerenck , David Roundy

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

We present results for lattice QCD with staggered fermions in the limit of infinite gauge coupling, obtained from a worm-type Monte Carlo algorithm on a discrete spatial lattice but with continuous Euclidean time. This is achieved by…

High Energy Physics - Lattice · Physics 2011-11-08 Wolfgang Unger , Philippe de Forcrand

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

A methodology for calculating the contribution of charged defects to the configurational free energy of an ionic crystal is introduced. The temperature-independent Wang-Landau Monte Carlo technique is applied to a simple model of a solid…

Materials Science · Physics 2015-06-16 Robert M. Horton , Andrew J. Haslam , Amparo Galindo , George Jackson , Michael W. Finnis

We present a study on the performance of Wang-Landau algorithm in a lattice model of liquid crystals which is a continuous lattice spin model. We propose a novel method of the spin update scheme in a continuous lattice spin model. The…

Statistical Mechanics · Physics 2012-09-27 Suman Sinha

Using a recently introduced tensor network method, we study the density of states of the lattice Schwinger model, a standard testbench for lattice gauge theory numerical techniques, but also the object of recent experimental quantum…

High Energy Physics - Lattice · Physics 2021-08-04 Irene Papaefstathiou , Daniel Robaina , J. Ignacio Cirac , Mari Carmen Bañuls

Monte Carlo simulations using entropic sampling to estimate the number of configurations of a given energy are a valuable alternative to traditional methods. We introduce {\it tomographic} entropic sampling, a scheme which uses multiple…

Statistical Mechanics · Physics 2015-05-28 Ronald Dickman , A. G. Cunha-Netto

While one-dimensional Markov processes are well understood, going to higher dimensions there are only a few analytically solved Ising-like models, in practice requiring to use relatively costly, uncontrollable and inaccurate Monte-Carlo…

Information Theory · Computer Science 2021-04-20 Jarek Duda

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

Soft porous crystals are flexible metal-organic frameworks that respond to physical stimuli such as temperature, pressure, and gas adsorption by large changes in their structure and unit cell volume. While they have attracted a lot of…

Statistical Mechanics · Physics 2012-10-19 David Bousquet , François-Xavier Coudert , Anne Boutin

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

We investigate the behavior of the deviation of the estimator for the density of states (DOS) with respect to the exact solution in the course of Wang-Landau and Stochastic Approximation Monte Carlo (SAMC) simulations of the two-dimensional…

Statistical Mechanics · Physics 2017-03-08 Simon Schneider , Marco Mueller , Wolfhard Janke

We present a generalization of the classical Wang-Landau algorithm [Phys. Rev. Lett. 86, 2050 (2001)] to quantum systems. The algorithm proceeds by stochastically evaluating the coefficients of a high temperature series expansion or a…

Statistical Mechanics · Physics 2009-09-29 Matthias Troyer , Stefan Wessel , Fabien Alet

Multi-dimensional density of states provides a useful description of complex frustrated systems. Recent advances in Monte Carlo methods enable efficient calculation of the density of states and related quantities, which renew the interest…

Disordered Systems and Neural Networks · Physics 2009-11-10 Yukito Iba , Hisanao Takahashi

We propose a method for Monte Carlo simulation of statistical physical models with discretized energy. The method is based on several ideas including the cluster algorithm, the multicanonical Monte Carlo method and its acceleration proposed…

Statistical Mechanics · Physics 2009-11-07 Chiaki Yamaguchi , Naoki Kawashima