نتایج جستجو برای: langevin dynamics simulation

تعداد نتایج: 942603  

2009
Uwe Winter Tihamer Geyer

In the coarse grained Brownian Dynamics simulation method the many solvent molecules are replaced by random thermal kicks and an effective friction acting on the particles of interest. For Brownian Dynamics the friction has to be so strong that the particles’ velocities are damped much faster than the duration of an integration timestep. Here we show that this conceptual limit can be dropped wi...

2006
David Hochberg Maria-Paz Zorzano Federico Moran

We have derived exact Langevin equations for a model of quasispecies dynamics. The inherent multiplicative reaction noise is complex and its statistical properties are specified completely. The numerical simulation of the complex Langevin equations is carried out using the Cholesky decomposition for the noise covariance matrix. This internal noise, which is due to diffusion-limited reactions, p...

2013
Yoshitaka Hatta Takahiro Ueda

In the context of inter-jet energy flow, we present the first quantitative result of the resummation of non-global logarithms at finiteNc. This is achieved by refining Weigert’s approach in which the problem is reduced to the simulation of associated Langevin dynamics in the space of Wilson lines. We find that, in e+e− annihilation, the exact result is rather close to the result previously obta...

Journal: :Physical review letters 2005
J Berges I-O Stamatescu

We present lattice simulations of nonequilibrium quantum fields in Minkowskian space-time. Starting from a nonthermal initial state, the real-time quantum ensemble in (3 + 1) dimensions is constructed by a stochastic process in an additional (5th) "Langevin-time." For the example of a self-interacting scalar field, we show how to resolve apparent unstable Langevin dynamics and compare our quant...

Journal: :Entropy 2014
Samuel Livingstone Mark A. Girolami

Recent work incorporating geometric ideas in Markov chain Monte Carlo is reviewed in order to highlight these advances and their possible application in a range of domains beyond statistics. A full exposition of Markov chains and their use in Monte Carlo simulation for statistical inference and molecular dynamics is provided, with particular emphasis on methods based on Langevin diffusions. Aft...

Journal: :The Journal of chemical physics 2005
David M Huang Phil Attard

A method of calculating rates of homogeneous vapor-liquid nucleation based on Langevin dynamics of a few relevant degrees of freedom on a free-energy surface is proposed. The surface is obtained here from simulation and from a semi empirical expression. The mass and friction coefficients are derived from atomistic umbrella-sampling molecular-dynamics simulations. The calculated nucleation rate ...

Journal: :Physical review. E, Statistical, nonlinear, and soft matter physics 2001
F J Alexander B M Boghosian R C Brower S R Kimura

Fourier acceleration has been successfully applied to the simulation of lattice field theories for more than a decade. In this paper, we extend the method to the dynamics of discrete particles moving in a continuum. Although our method is based on a mapping of the particles' dynamics to a regular grid so that discrete Fourier transforms may be taken, it should be emphasized that the introductio...

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