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We present a novel, generally applicable Monte Carlo algorithm for the simulation of fluid systems. Geometric transformations are used to identify clusters of particles in such a manner that every cluster move is accepted, irrespective of…

Statistical Mechanics · Physics 2016-08-31 Jiwen Liu , Erik Luijten

Deep clustering methods improve the performance of clustering tasks by jointly optimizing deep representation learning and clustering. While numerous deep clustering algorithms have been proposed, most of them rely on artificially…

Machine Learning · Computer Science 2024-01-30 Zhanwen Cheng , Feijiang Li , Jieting Wang , Yuhua Qian

Monte Carlo methods are widely used to estimate observables in many-body quantum systems. However, conventional sampling schemes often require a large number of samples to achieve sufficient accuracy. In this work we propose the…

Quantum Physics · Physics 2026-01-29 Wenxuan Zhang , Dingzu Wang , Dario Poletti

Finding the ground state of Ising spin glasses is notoriously difficult due to disorder and frustration. Often, this challenge is framed as a combinatorial optimization problem, for which a common strategy employs simulated annealing, a…

The Metropolis implementation of the Monte Carlo algorithm has been developed to study the equilibrium thermodynamics of many-body systems. Choosing small trial moves, the trajectories obtained applying this algorithm agree with those…

Other Quantitative Biology · Quantitative Biology 2009-11-13 G. Tiana , L. Sutto , R. A. Broglia

Finding a good clustering of vertices in a network, where vertices in the same cluster are more tightly connected than those in different clusters, is a useful, important, and well-studied task. Many clustering algorithms scale well,…

Social and Information Networks · Computer Science 2011-10-18 Thomas DuBois , Jennifer Golbeck , Aravind Srinivasan

We demonstrate the feasibility of performing sufficient configurational sampling of disordered oxides directly from first principles without resorting to the use of fitted models such as cluster expansion. This is achieved by harnessing the…

Materials Science · Physics 2019-01-30 Shusuke Kasamatsu , Osamu Sugino

We present a new type of cluster algorithm that strongly reduces critical slowing down in simulations of vertex models. Since the clusters are closed paths of bonds, we call it the {\em loop algorithm}. The basic steps in constructing a…

Condensed Matter · Physics 2009-01-23 H. G. Evertz , G. Lana , M. Marcu

We present a lattice Monte Carlo simulation for a multiblock copolymer chain of length N=240 and microarchitecture $(10-10)_{12}$.The simulation was performed using the Monte Carlo method with the Metropolis algorithm. We measured average…

Soft Condensed Matter · Physics 2017-08-24 Jakub Krajniak , Michal Banaszak

A method for Monte Carlo simulation of 2D spin-polarized electron transport in III-V semiconductor heterojunction FETs is presented. In the simulation, the dynamics of the electrons in coordinate and momentum space is treated…

Condensed Matter · Physics 2010-10-12 Min Shen , Semion Saikin , Ming-C. Cheng , Vladimir Privman

We introduce a `virtual-move' Monte Carlo (VMMC) algorithm for systems of pairwise-interacting particles. This algorithm facilitates the simulation of particles possessing attractions of short range and arbitrary strength and geometry, an…

Statistical Mechanics · Physics 2009-11-11 Stephen Whitelam , Phillip L. Geissler

We introduce a multiscale Monte Carlo algorithm to simulate dense simple fluids. The probability of an update follows a power law distribution in its length scale. The collective motion of clusters of particles requires generalization of…

Statistical Mechanics · Physics 2009-11-11 A. C. Maggs

We describe a Monte Carlo procedure which allows sampling of the disjoint configuration spaces associated with crystalline and fluid phases, within a single simulation. The method utilises biased sampling techniques to enhance the…

Statistical Mechanics · Physics 2009-10-31 N. B. Wilding , A. D. Bruce

In this paper the influence of galaxy cluster halo environment on the deflection properties of its galaxies is investigated. For this purpose circular and elliptical projected cluster haloes obeying Einasto density profiles are multiply…

Cosmology and Nongalactic Astrophysics · Physics 2015-06-16 Alexander L. Poplavsky

We have developed a new simulation code aimed at studying the stellar dynamics of a galactic central star cluster surrounding a massive black hole. In order to include all the relevant physical ingredients (2-body relaxation, stellar mass…

Astrophysics · Physics 2009-11-06 Marc Freitag , Willy Benz

Using a {\it collective} Monte Carlo algorithm we study the low-temperature and long-distance properties of two systems of two-dimensional classical tops. Both systems have the same spin-wave dynamics (low-temperature behavior) as a large…

Statistical Mechanics · Physics 2009-10-31 Michel Caffarel , Patrick Azaria , Bertrand Delamotte , Dominique Mouhanna

Using a cluster-flipping Monte Carlo algorithm combined with a generalization of the histogram reweighting scheme of Ferrenberg and Swendsen, we have studied the equilibrium properties of the thermal random-field Ising model on a cubic…

Condensed Matter · Physics 2009-10-28 M. E. J. Newman , G. T. Barkema

Two cluster algorithms, based on constructing and flipping loops, are presented for worldline quantum Monte Carlo simulations of fermions and are tested on the one-dimensional repulsive Hubbard model. We call these algorithms the loop-flip…

Condensed Matter · Physics 2007-05-23 N. Kawashima , J. E. Gubernatis , H. G. Evertz

We propose a modified coupled cluster Monte Carlo algorithm that stochastically samples connected terms within the truncated Baker--Campbell--Hausdorff expansion of the similarity transformed Hamiltonian by construction of coupled cluster…

Chemical Physics · Physics 2019-06-19 Charles J. C. Scott , Roberto Di Remigio , T. Daniel Crawford , Alex J. W. Thom

We have proposed a cluster heat bath method in Monte Carlo simulations of Ising models in which one of the possible spin configurations of a cluster is selected in accordance with its Boltzmann weight. We have argued that the method…

Condensed Matter · Physics 2009-10-30 F. Matsubara , A. Sato , O. Koseki , T. Shirakura