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Lecture

Langevin dynamics: Path Integral Methods

Description

This lecture covers Langevin dynamics, a model of Brownian motion combining viscous drag and random collisions, along with the Fokker-Planck equation and its correspondence with stochastic differential equations. It also discusses solving the Langevin equation, the stationary solution, and finite-time propagation. Additionally, it explores Langevin dynamics as a thermostat in a molecular dynamics framework, emphasizing the simplification provided by the free-particle propagator. The efficiency of Langevin sampling is highlighted, showing how harmonic Langevin dynamics can be solved analytically. The take-home message stresses the use of Langevin dynamics for sampling the canonical ensemble and the importance of critical damping for optimal sampling efficiency.

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Related concepts (32)

Stochastic differential equation

A stochastic differential equation (SDE) is a differential equation in which one or more of the terms is a stochastic process, resulting in a solution which is also a stochastic process. SDEs have many applications throughout pure mathematics and are used to model various behaviours of stochastic models such as stock prices, random growth models or physical systems that are subjected to thermal fluctuations. SDEs have a random differential that is in the most basic case random white noise calculated as the derivative of a Brownian motion or more generally a semimartingale.

Langevin equation

In physics, a Langevin equation (named after Paul Langevin) is a stochastic differential equation describing how a system evolves when subjected to a combination of deterministic and fluctuating ("random") forces. The dependent variables in a Langevin equation typically are collective (macroscopic) variables changing only slowly in comparison to the other (microscopic) variables of the system. The fast (microscopic) variables are responsible for the stochastic nature of the Langevin equation.

Geometric Brownian motion

A geometric Brownian motion (GBM) (also known as exponential Brownian motion) is a continuous-time stochastic process in which the logarithm of the randomly varying quantity follows a Brownian motion (also called a Wiener process) with drift. It is an important example of stochastic processes satisfying a stochastic differential equation (SDE); in particular, it is used in mathematical finance to model stock prices in the Black–Scholes model.

Canonical ensemble

In statistical mechanics, a canonical ensemble is the statistical ensemble that represents the possible states of a mechanical system in thermal equilibrium with a heat bath at a fixed temperature. The system can exchange energy with the heat bath, so that the states of the system will differ in total energy. The principal thermodynamic variable of the canonical ensemble, determining the probability distribution of states, is the absolute temperature (symbol: T).

Brownian motion

Brownian motion is the random motion of particles suspended in a medium (a liquid or a gas). This motion pattern typically consists of random fluctuations in a particle's position inside a fluid sub-domain, followed by a relocation to another sub-domain. Each relocation is followed by more fluctuations within the new closed volume. This pattern describes a fluid at thermal equilibrium, defined by a given temperature. Within such a fluid, there exists no preferential direction of flow (as in transport phenomena).

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