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Variational Principles in Conformation Dynamics - FU Berlin, FB MI

Variational Principles in Conformation Dynamics - FU Berlin, FB MI

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III.Diffusion processes andapplication <strong>in</strong> one dimensionWe are now prepared to apply the variational methods we have just derived to a number ofexample systems. Our guid<strong>in</strong>g example will be a diffusion process. This is a system where anumber of classical particles move under the <strong>in</strong>fluence of a determ<strong>in</strong>istic force field, generatedby some potential energy function. If there was no further <strong>in</strong>fluence, this system could bemodelled by classical equations of motion. However, the particles are also subject to randomfluctuations, which <strong>in</strong>terfere with the determ<strong>in</strong>istic motion. The fundamental concepts ofsuch a system will be <strong>in</strong>troduced below. As a result, the system trajectory can no longerbe uniquely predicted. Instead, we have a stochastic process to which our theoretical resultscan be applied.III.1. Brownian motion and stochastic differentialequationsThe fundamental model for the description of random fluctuations is Brownian motion orthe Wiener process. In1826-27,R.Brownstudiedtheirregularbehaviourofpollengra<strong>in</strong>s<strong>in</strong>water. He and many others observed that the pathways taken by such a particle were highlyirregular. Moreover, whereas the average distance from the start<strong>in</strong>g po<strong>in</strong>t seemed to vanish,the mean fluctuation from the average seemed to be grow<strong>in</strong>g l<strong>in</strong>early. These observationsmotivated the follow<strong>in</strong>g mathematical model, [Evans, ch.3].Def<strong>in</strong>ition III.1: Aone-dimensionalstochasticprocessW t on a probability space Ω, def<strong>in</strong>edfor t ≥ 0, iscalledaBrownianmotionoraWienerprocessifitsatisfies:(a) W 0 =0a.e.

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