The purpose of this assignment is to perform a full molecular dynamics simulation based on the Verlet algorithm to calculate various properties of a simple liquid, modeled as an ensemble of identical classical particles interacting via the Lennard-Jones potential.

This assignment is to be completed following lectures 3 and 4 using the "Lennard-Jones Molecular Dynamics" program in the Berkeley Computational Nanoscience Toolkit.

Researchers should cite this work as follows:

• Elif Ertekin, Jeffrey C Grossman (2008), "Computational Nanoscience, Homework Assignment 2: Molecular Dynamics Simulation of a Lennard-Jones Liquid," https://nanohub.org/resources/4052.

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1. computational materials science
2. computational science/engineering
3. molecular dynamics (MD)