Lecture

Molecular Dynamics Basics

In course

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Description

This lecture introduces the fundamental concepts of Molecular Dynamics, focusing on the NVE ensemble. Topics covered include the Verlet time evolution integrator, periodic boundary conditions, and the implementation of molecular dynamics in Python. The lecture also discusses the Lennard-Jones potential, the position-Verlet algorithm, and the ergodic hypothesis in statistical mechanics.

Instructor

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Official source

https://mediaspace.epfl.ch/media/0_2xzseb58

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Ontological neighbourhood

Physics

Thermodynamics: Statistical mechanics

Systems science and engineering

Systems theory: Chaos theory

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