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In the present paper we identify a rigorous property of a number of tempering-based Monte Carlo sampling methods, including parallel tempering as well as partial and infinite swapping. Based on this property we develop a variety of…

Statistical Mechanics · Physics 2015-06-11 J. D. Doll , Nuria Plattner , David L. Freeman , Yufei Liu , Paul Dupuis

We discuss the tempering Monte Carlo method, and its critical slowing down in the $3d$ Ising model. We show that at $T_c$ the tempering does not change the critical slowing down exponent $z$. We also discuss the exponential slowing down for…

Condensed Matter · Physics 2009-10-22 L. A. Fernandez , E. Marinari , J. J. Ruiz-Lorenzo

Parallel tempering Monte Carlo has proven to be an efficient method in optimization and sampling applications. Having an optimized temperature set enhances the efficiency of the algorithm through more-frequent replica visits to the…

Computational Physics · Physics 2019-11-11 Ignacio Rozada , Maliheh Aramon , Jonathan Machta , Helmut G. Katzgraber

We show that the recently proposed interacting Ehrenfest M-urn model at equilibrium can be exactly mapped to a mean-field M-state Potts model. By exploiting this correspondence, we show that the M-state Potts model with M >= 3, with…

Statistical Mechanics · Physics 2024-02-19 Chi-Ho Cheng , Pik-Yin Lai

We perform a theoretical and numerical investigation of the time-average of energy exchange among modes of Reduced Order Models (ROMs) of fluid flows. We are interested in the statistical equilibrium problem, and especially in the possible…

Analysis of PDEs · Mathematics 2019-01-16 Luigi C. Berselli , Traian Iliescu , Birgul Koc , Roger Lewandowski

In this article, we propose an efficient method for sampling the relevant state space in condensed phase reactions. In the present method, the reaction is described by solving the electronic Schr\"{o}dinger equation for the solute atoms in…

Chemical Physics · Physics 2009-11-10 Radu Iftimie , Dennis Salahub , Jeremy Schofield

By decomposing the important sampled imaginary time Schr\"odinger evolution operator to fourth order with positive coefficients, we derived a number of distinct fourth order Diffusion Monte Carlo algorithms. These sophisticated algorithms…

Nuclear Theory · Physics 2009-11-06 Harald A. Forbert , Siu A. Chin

An efficient O(N) cluster Monte Carlo method for Ising models with long-range interactions is presented. Our novel algorithm does not introduce any cutoff for interaction range and thus it strictly fulfills the detailed balance. The…

Statistical Mechanics · Physics 2009-11-13 Kouki Fukui , Synge Todo

We present a computer-assisted approach to approximating coarse optimal switching policies for systems described by microscopic/stochastic evolution rules. The coarse timestepper constitutes a bridge between the underlying kinetic Monte…

Cellular Automata and Lattice Gases · Physics 2007-05-23 Antonios Armaou , Ioannis G. Kevrekidis

Diagrammatic Monte Carlo -- the technique for numerically exact summation of all Feynman diagrams to high orders -- offers a unique unbiased probe of continuous phase transitions. Being formulated directly in the thermodynamic limit, the…

Strongly Correlated Electrons · Physics 2022-09-07 Connor Lenihan , Aaram J. Kim , Fedor Šimkovic IV. , Evgeny Kozik

Velazquez and Curilef have proposed a methodology to extend Monte Carlo algorithms that are based on canonical ensemble. According to our previous study, their proposal allows us to overcome slow sampling problems in systems that undergo…

Statistical Mechanics · Physics 2016-02-24 L. Velazquez , J. C. Castro-Palacio

The low temperature properties of double exchange model in triangular lattice are investigated via truncated polynomial expansion method (TPEM), which reduces the computational complexity and enables parallel computation. We found that for…

Materials Science · Physics 2012-05-24 G. P. Zhang

Monte Carlo simulation has been performed in a two-dimensional modified XY-model first proposed by Domany et. al [E. Domany, M. Schick and R. H. Swendsen, Phys. Rev. Lett. 52, 1535 (1984)]. The cluster algorithm of Wolff has been used and…

Statistical Mechanics · Physics 2015-05-13 Suman Sinha , Soumen Kumar Roy

Tethering methods allow us to perform Monte Carlo simulations in ensembles with conserved quantities. Specifically, one couples a reservoir to the physical magnitude of interest, and studies the statistical ensemble where the total…

Statistical Mechanics · Physics 2011-08-29 V. Martin-Mayor , B. Seoane , D. Yllanes

We modified the recently proposed multicanonical MC algorithm for the case of a magnetic field driven order--order phase transition. We test this {\it multimagnetic} Monte Carlo algorithm for the D=2 Ising model at $\beta=0.5$ and simulate…

High Energy Physics - Lattice · Physics 2007-05-23 U. Hansmann , B. A. Berg , T. Neuhaus

High order perturbation theory has seen an unexpected recent revival for controlled calculations of quantum many-body systems, even at strong coupling. We adapt integration methods using low-discrepancy sequences to this problem. They…

Strongly Correlated Electrons · Physics 2020-08-27 Marjan Maček , Philipp T. Dumitrescu , Corentin Bertrand , Bill Triggs , Olivier Parcollet , Xavier Waintal

The dynamic relaxation process for the two dimensional Potts model at criticality starting from an initial state with very high temperature and arbitrary magnetization is investigated with Monte Carlo methods. The results show that there…

Condensed Matter · Physics 2009-10-28 B. Zheng

We studied interplay between kinetic roughening and phase ordering in 1+1 dimensional single-step solid-on-solid growth model with two kinds of particles and Ising-like interaction. Evolution of both geometrical and compositional properties…

Statistical Mechanics · Physics 2009-10-30 Miroslav Kotrla , Milan Predota

The growth rates and chemical ordering of ferroelectric alloys are studied with kinetic Monte Carlo (KMC) simulations using an electrostatic model with long-range Coulomb interactions, as a function of temperature, chemical composition, and…

Materials Science · Physics 2016-08-31 Malliga Suewattana , Henry Krakauer , Shiwei Zhang

One-dimensional model of a system where first-order phase transition occurs is examined in the present paper. It is shown that basic properties of the phenomenon, such as a well defined temperature of transition, are caused both by…

Statistical Mechanics · Physics 2009-07-29 Marcin Ostrowski