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The kinetic Monte Carlo method is a standard approach for simulating physical systems whose dynamics are stochastic or that evolve in a probabilistic manner. Here we show how to calculate the system time for such simulations.

计算物理 · 物理学 2008-01-14 Clinton DeW. Van Siclen

We present and analyse a micro-macro acceleration method for the Monte Carlo simulation of stochastic differential equations with separation between the (fast) time-scale of individual trajectories and the (slow) time-scale of the…

数值分析 · 数学 2017-12-04 Kristian Debrabant , Giovanni Samaey , Przemysław Zieliński

We introduce a quantum Monte Carlo method to simulate the reversible dynamics of correlated many-body systems. Our method is based on the Laplace transform of the time-evolution operator which, as opposed to most quantum Monte Carlo…

量子物理 · 物理学 2022-09-14 Romain Chessex , Massimo Borrelli , Hans Christian Öttinger

Importance sampling is a Monte Carlo method which designs estimators of expectations under a target distribution using weighted samples from a proposal distribution. When the target distribution is complex, such as multimodal distributions…

统计方法学 · 统计学 2026-02-04 Anas Cherradi , Yazid Janati , Alain Durmus , Sylvain Le Corff , Yohan Petetin , Julien Stoehr

The efficiency of Monte Carlo samplers is dictated not only by energetic effects, such as large barriers, but also by entropic effects that are due to the sheer volume that is sampled. The latter effects appear in the form of an entropic…

计算物理 · 物理学 2009-11-13 Cristian Predescu

An efficient method for computing thermodynamic equilibrium states at the micromagnetic length scale is introduced, using the Markov chain Monte Carlo method. Trial moves include not only rotations of vectors, but also a change in their…

介观与纳米尺度物理 · 物理学 2021-11-10 Serban Lepadatu

Here, a dynamical Monte-Carlo (DMC) method is used to study temperature-dependent dynamical magnetization of famous Mn2Ni system as typical example of single-chain magnets with strong magnetic anisotropy. Simulated magnetization curves are…

介观与纳米尺度物理 · 物理学 2015-05-21 Jun Li , Bang-Gui Liu

A set of algorithms is presented for efficient numerical calculation of the time evolution of classical dynamical systems. Starting with a first approximation for solving the differential equations that has a "reversible" character, we show…

经典物理 · 物理学 2017-03-22 Charles Schwartz

We consider the numerical solution of scalar, nonlinear degenerate convection-diffusion problems with random diffusion coefficient and with random flux functions. Building on recent results on the existence, uniqueness and continuous…

偏微分方程分析 · 数学 2013-11-08 U. Koley , N. H. Risebro , Ch. Schwab , F. Weber

The Diffusion Monte Carlo method is devoted to the computation of electronic ground-state energies of molecules. In this paper, we focus on implementations of this method which consist in exploring the configuration space with a {\bf fixed}…

数值分析 · 数学 2007-05-23 Tony Lelievre , Mohamed El Makrini , Benjamin Jourdain

The secondary electron emission process is essential for the optimal operation of a wide range of applications, including fusion reactors, high-energy accelerators, or spacecraft. The process can be influenced and controlled by the use of a…

等离子体物理 · 物理学 2021-02-03 Claudiu Costin

On the base of a Feynman-Kac--type formula involving Poisson stochastic processes, recently a Monte Carlo algorithm has been introduced, which describes exactly the real- or imaginary-time evolution of many-body lattice quantum systems. We…

其他凝聚态物理 · 物理学 2011-07-19 Massimo Ostilli , Carlo Presilla

We analyse convergence of a micro-macro acceleration method for the Monte Carlo simulation of stochastic differential equations with time-scale separation between the (fast) evolution of individual trajectories and the (slow) evolution of…

数值分析 · 数学 2018-01-08 Tony Lelièvre , Giovanni Samaey , Przemysław Zieliński

The basic problem in equilibrium statistical mechanics is to compute phase space average, in which Monte Carlo method plays a very important role. We begin with a review of nonlocal algorithms for Markov chain Monte Carlo simulation in…

统计力学 · 物理学 2007-05-23 Jian-Sheng Wang

The magnetization reversal time of ferromagnetic nanoparticles is investigated in the very low damping regime. The energy-controlled diffusion equation rooted in a generalization of the Kramers escape rate theory for point Brownian…

统计力学 · 物理学 2014-04-07 William T. Coffey , Yuri P. Kalmykov , Serguey V. Titov

Monte-Carlo simulations are routinely used for estimating the scaling exponents of complex systems. However, due to finite-size effects, determining the exponent values is often difficult and not reliable. Here we present a novel technique…

计算物理 · 物理学 2013-03-05 Indrek Mandre , Jaan Kalda

Stochastic reaction-diffusion models are employed to represent many complex physical, biological, societal, and ecological systems. The macroscopic reaction rates describing the large-scale kinetics in such systems are effective,…

生物物理 · 物理学 2024-07-22 Mohamed Swailem , Uwe C. Täuber

In dynamic Monte Carlo simulations, using for example the Metropolis dynamic, it is often required to simulate for long times and to simulate large systems. We present an overview of advanced algorithms to simulate for larger times and to…

统计力学 · 物理学 2007-05-23 M. A. Novotny , Alice K. Kolakowska , G. Korniss

A model is introduced for the theoretical description of nanoscale magnetic films with high perpendicular anisotropy. In the model the magnetic film is described in terms of single domain magnetic grains, interacting via exchange as well as…

凝聚态物理 · 物理学 2009-10-28 U. Nowak

The finite-size scaling method in the equilibrium Monte Carlo(MC) simulations and the finite-time scaling method in the nonequilibrium-relaxation simulations are compromised. MC time data of various physical quantities are scaled by the MC…

统计力学 · 物理学 2010-08-02 Tota Nakamura