Sampling the Canonical Ensemble

In course

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Description

This lecture covers the concept of sampling the canonical ensemble, focusing on temperature fluctuations and the extended Lagrangian of Nosé. It explains how to calculate averages over the canonical ensemble and the Maxwell-Boltzmann distribution. The instructor discusses the comparison between canonical and microcanonical ensembles, as well as the control of temperature in molecular dynamics simulations.

Instructor

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Official source

https://mediaspace.epfl.ch/media/0_2scz2wx3

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Ontological neighbourhood

Physics

Thermodynamics: Statistical mechanics

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