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Lecture

Effective Dynamics for Stochastic Differential Equations

Description

This lecture covers the effective dynamics for non-reversible stochastic differential equations, focusing on molecular dynamics, ergodic sampling, bottlenecks in MD, coarse-graining, and connection to free-energy. It discusses the breakdown in non-reversible settings, effective drift approximation, and the importance of conditional stationary measures. The lecture concludes with insights on the proof of effective dynamics and ongoing research on time-marginal estimates. Various concepts such as Markovian approximation, Lipschitz growth, and scale-separation are explored in the context of non-reversible dynamics.

Official source

Ontological neighbourhood

Physics

Thermodynamics: Statistical mechanics

Related concepts (32)

Helmholtz free energy

In thermodynamics, the Helmholtz free energy (or Helmholtz energy) is a thermodynamic potential that measures the useful work obtainable from a closed thermodynamic system at a constant temperature (isothermal). The change in the Helmholtz energy during a process is equal to the maximum amount of work that the system can perform in a thermodynamic process in which temperature is held constant. At constant temperature, the Helmholtz free energy is minimized at equilibrium.

Gibbs free energy

In thermodynamics, the Gibbs free energy (or Gibbs energy as the recommended name; symbol ) is a thermodynamic potential that can be used to calculate the maximum amount of work, other than pressure-volume work, that may be performed by a thermodynamically closed system at constant temperature and pressure. It also provides a necessary condition for processes such as chemical reactions that may occur under these conditions. The Gibbs free energy is expressed as where p is pressure, T is the temperature, U is the internal energy, V is volume, H is the enthalpy, and S is the entropy.

Thermodynamic free energy

In thermodynamics, the thermodynamic free energy is one of the state functions of a thermodynamic system (the others being internal energy, enthalpy, entropy, etc.). The change in the free energy is the maximum amount of work that the system can perform in a process at constant temperature, and its sign indicates whether the process is thermodynamically favorable or forbidden. Since free energy usually contains potential energy, it is not absolute but depends on the choice of a zero point.

Microscopic reversibility

The principle of microscopic reversibility in physics and chemistry is twofold: First, it states that the microscopic detailed dynamics of particles and fields is time-reversible because the microscopic equations of motion are symmetric with respect to inversion in time (T-symmetry); Second, it relates to the statistical description of the kinetics of macroscopic or mesoscopic systems as an ensemble of elementary processes: collisions, elementary transitions or reactions.

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.

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