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A rigourous Monte Carlo method for protein folding simulation on lattice model is introduced. We show that a parameter which can be seen as the rigidity of the conformations has to be introduced in order to satisfy the detailed balance…

Soft Condensed Matter · Physics 2007-05-23 Olivier Collet

We introduce a Monte Carlo method, as a modification of existing cluster algorithms, which allows simulations directly on systems of infinite size, and for quantum models also at beta=infinity. All two-point functions can be obtained,…

Statistical Mechanics · Physics 2007-05-23 H. G. Evertz , W. von der Linden

Droplet nucleation and evaporation are ubiquitous in nature and many technological applications, such as phase-change cooling and boiling heat transfer. So far, the description of these phenomena at the molecular scale has posed challenges…

Fluid Dynamics · Physics 2023-11-28 Panagiotis E. Theodorakis , Y. Wang , A. Chen , B. Liu

Monte Carlo simulations of quantum field theories on a lattice become increasingly expensive as the continuum limit is approached since the cost per independent sample grows with a high power of the inverse lattice spacing. Simulations on…

High Energy Physics - Lattice · Physics 2021-01-04 Karl Jansen , Eike Hermann Müller , Robert Scheichl

The effect of different move sets on the folding kinetics of the Monte Carlo simulations is analysed based on the conformation-network and the temperature-dependent folding kinetics. A new scheme of implementing Metropolis algorithm is…

Soft Condensed Matter · Physics 2007-05-23 Yu-Pin Luo , Ming-Chang Huang , Yen-Liang Chou , Tsong-Ming Liaw

We present a multivariate central limit theorem for a general class of interacting Markov chain Monte Carlo algorithms used to solve nonlinear measure-valued equations. These algorithms generate stochastic processes which belong to the…

Probability · Mathematics 2012-01-04 Bernard Bercu , Pierre Del Moral , Arnaud Doucet

Monte Carlo methods play important part in modern statistical physics. The application of these methods suffer from two main difficulties.The first is caused by the relatively small number of particles that can participate in any numerical…

Statistical Mechanics · Physics 2007-05-23 A. Brandt , V. Ilyin

A theoretical investigation of quantum-transport phenomena in mesoscopic systems is presented. In particular, a generalization to ``open systems'' of the well-known semiconductor Bloch equations is proposed. The presence of spatial boundary…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Fausto Rossi , Aldo Di Carlo , Paolo Lugli

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

Differences between lattice Monte Carlo data and perturbation theory (for example the lack of asymptotic scaling) are usually associated with the `bad' behaviour of the bare lattice coupling g_0 due to the effects of large (and unknown)…

High Energy Physics - Lattice · Physics 2009-10-28 C. R. Allton

Using the recently introduced Molecular Dynamics Lattice Gas (MDLG) approach, we test fluctuations of coarse-grained quantities. We show that as soon as the system can no longer be considered an ideal gas fluctuations fail to diminish upon…

Computational Physics · Physics 2020-07-01 M. Reza Parsa , Alexander J. Wagner

We propose a mean-field (MF) approximation for the recurrence relation governing the dynamics of $m$ species of particles on a square lattice, and we simultaneously perform Monte Carlo (MC) simulations under identical initial conditions to…

Statistical Mechanics · Physics 2025-06-23 Eduardo Velasco Stock , Roberto da Silva , Sebastian Gonçalves

In this paper we introduce and discuss numerical schemes for the approximation of kinetic equations for flocking behavior with phase transitions that incorporate uncertain quantities. This class of schemes here considered make use of a…

Numerical Analysis · Mathematics 2019-10-31 Jose Antonio Carrillo , Mattia Zanella

Perturbative coefficients for Wilson loops and the static quark self-energy are extracted from Monte Carlo simulations at large beta on finite volumes, where all the lattice momenta are large. The Monte Carlo results are in excellent…

High Energy Physics - Lattice · Physics 2015-06-25 G. P. Lepage , P. B. Mackenzie , N. H. Shakespeare , H. D. Trottier

We introduce an efficient lattice regularization scheme for quantum Monte Carlo calculations of realistic electronic systems. The kinetic term is discretized by a finite difference Laplacian with two mesh sizes, a and a', where a'/a is an…

Other Condensed Matter · Physics 2009-11-11 Michele Casula , Claudia Filippi , Sandro Sorella

Perturbative coefficients for Wilson loops and the static-quark self-energy are extracted from Monte Carlo simulations at weak coupling. The lattice volumes and couplings are chosen to ensure that the lattice momenta are all perturbative.…

High Energy Physics - Lattice · Physics 2009-11-07 H. D. Trottier , N. H. Shakespeare , G. P. Lepage , P. B. Mackenzie

We report several important observations that underscore the distinctions between the constrained-path Monte Carlo method and the continuum and lattice versions of the fixed-node method. The main distinctions stem from the differences in…

Condensed Matter · Physics 2009-10-31 J. Carlson , J. E. Gubernatis , G. Ortiz , S. Zhang

Understanding the physics of nonequilibrium systems remains as one of the major challenges of theoretical physics. This problem can be cracked in part by investigating the macroscopic fluctuations of the currents characterizing…

Statistical Mechanics · Physics 2014-03-18 Pablo I. Hurtado , Carlos P. Espigares , Jesus J. del Pozo , Pedro L. Garrido

The scaling exponent and scaling function for the 1D single species coagulation model $(A+A\rightarrow A)$ are shown to be universal, i.e. they are not influenced by the value of the coagulation rate. They are independent of the initial…

Condensed Matter · Physics 2009-10-22 Klaus Krebs , Markus Pfannmueller , Horatiu Simon , Birgit Wehefritz

Variational minimization of tensor network states enables the exploration of low energy states of lattice gauge theories. However, the exact numerical evaluation of high-dimensional tensor network states remains challenging in general. In…

Quantum Physics · Physics 2020-10-12 Patrick Emonts , Mari Carmen Bañuls , J. Ignacio Cirac , Erez Zohar
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