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Dynamic Monte Carlo method

About: Dynamic Monte Carlo method is a research topic. Over the lifetime, 13294 publications have been published within this topic receiving 371256 citations.


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TL;DR: In this paper, the authors show that these long relaxation times must be attributed to the specific choice of the kinetics rather than to the intrinsic nature of the excluded volume interaction, i.e., when two beads of the chain cannot occupy the same lattice site.
Abstract: Monte Carlo calculations by Verdier et al. on the kinetics of polymer chains on a lattice have shown a large increase of relaxation times in the presence of excluded volume restrictions, i.e., when two beads of the chain cannot occupy the same lattice site. We show that these long relaxation times must be attributed to the specific choice of the kinetics rather than to the intrinsic nature of the excluded volume interaction. A simplified analytic model which preserves the essential characteristics of the kinetics of Verdier’s model reproduces qualitatively the Monte Carlo results for the realxation of the squares of the Rouse coordinates.

167 citations

Journal ArticleDOI
TL;DR: This model is a simple model for isolated magnetic particles in a uniform field with an oblique angle to the easy axis of the particles, where the characteristic time of the magnetization reversal are in excellent agreement with asymptotic solutions for the Neel-Brown model.
Abstract: For the description of thermally activated dynamics in systems of classical magnetic moments numerical methods are desirable. We consider a simple model for isolated magnetic particles in a uniform field with an oblique angle to the easy axis of the particles. For this model, a comparison of the Monte Carlo method with Langevin dynamics yields new insight to the interpretation of the Monte Carlo process, leading to the implementation of a new algorithm where the Monte Carlo step is time quantified. The numeric results for the characteristic time of the magnetization reversal are in excellent agreement with asymptotic solutions for the Neel-Brown model.

167 citations

Journal ArticleDOI
TL;DR: In this article, a Monte-Carlo method is presented for the calculation of the ground-state wavefunction and energy value of the many-body Schrodinger equation, and several refinements to the iterative scheme, including the use of variational wavefunctions to improve the energy estimate and a variance reducing technique, are also discussed.

167 citations

Journal ArticleDOI
01 Sep 2001-JOM
TL;DR: In this paper, a kinetic Monte Carlo Potts model for simulating microstructural evolution is presented, which provides a fast and flexible tool for evaluating a variety of materials systems in two and three dimensions.
Abstract: This paper reviews the kinetic Monte Carlo Potts model for simulating microstructural evolution. When properly implemented, that model provides a fast and flexible tool for evaluating a variety of materials systems in two and three dimensions, generating snapshots of the evolving microstructure with time. Examples of the model are provided, along with potential applications.

166 citations

Journal ArticleDOI
TL;DR: The induced charge computation (ICC) method for the calculation of the polarization charges based on the variational formulation of Allen et al. is presented and results for electrolyte solutions in these special cases show that the ICC method is both accurate and efficient.
Abstract: The efficient calculation of induced charges in an inhomogeneous dielectric is important in simulations and coarse-grained models in molecular biology, chemical physics, and electrochemistry. We present the induced charge computation ~ICC! method for the calculation of the polarization charges based on the variational formulation of Allen et al. @Phys. Chem. Chem. Phys. 3, 4177 ~2001!#. We give a different solution for their extremum condition that produces a matrix formulation. The induced charges are directly calculated by solving the linear matrix equation Ah5c, where h contains the discretized induced charge density, c depends only on the source charges—the ions moved in the simulation—and the matrix A depends on the geometry of dielectrics, which is assumed to be unchanged during the simulation. Thus, the matrix need be inverted only once at the beginning of the simulation. We verify the efficiency and accuracy of the method by means of Monte Carlo simulations for two special cases. In the simplest case, a single sharp planar dielectric boundary is present, which allows comparison with exact results calculated using the method of electrostatic images. The other special case is a particularly simple case where the matrix A is not diagonal: a slab with two parallel flat boundaries. Our results for electrolyte solutions in these special cases show that the ICC method is both accurate and efficient.

165 citations


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Performance
Metrics
No. of papers in the topic in previous years
YearPapers
202311
202233
20201
20198
201852
2017306