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Lecture# Molecular Dynamics: Liquid Argon Simulation

Description

This lecture covers the molecular dynamics simulation of liquid argon using Lennard-Jones potential, focusing on equilibration, pair-correlation function, self-diffusion, and velocity distribution at equilibrium. The instructor discusses the setup of the simulation, interactions, and the agreement with experimental data.

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Official source

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In course

Instructor

PHYS-403: Computer simulation of physical systems I

The two main topics covered by this course are classical molecular dynamics and the Monte Carlo method.

Related concepts (50)

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Correlation

In statistics, correlation or dependence is any statistical relationship, whether causal or not, between two random variables or bivariate data. Although in the broadest sense, "correlation" may indicate any type of association, in statistics it usually refers to the degree to which a pair of variables are linearly related. Familiar examples of dependent phenomena include the correlation between the height of parents and their offspring, and the correlation between the price of a good and the quantity the consumers are willing to purchase, as it is depicted in the so-called demand curve.

Pearson correlation coefficient

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Cross-correlation

In signal processing, cross-correlation is a measure of similarity of two series as a function of the displacement of one relative to the other. This is also known as a sliding dot product or sliding inner-product. It is commonly used for searching a long signal for a shorter, known feature. It has applications in pattern recognition, single particle analysis, electron tomography, averaging, cryptanalysis, and neurophysiology. The cross-correlation is similar in nature to the convolution of two functions.