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Computational Nanoscience, Homework Assignment 2: Molecular Dynamics Simulation of a Lennard-Jones Liquid

By Elif Ertekin1, Jeffrey C Grossman2

1. University of Illinois at Urbana-Champaign 2. Massachusetts Institute of Technology

Published on


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.


Nanoscale Science and Engineering C242/Physics C203
University of California, Berkeley

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