Computational Nanoscience, Homework Assignment 2: Molecular Dynamics Simulation of a Lennard-Jones Liquid
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Abstract
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.
Credits
Nanoscale Science and Engineering C242/Physics C203
University of California, Berkeley
University of California, Berkeley
Cite this work
Researchers should cite this work as follows:
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Elif Ertekin; Jeffrey C Grossman (2008), "Computational Nanoscience, Homework Assignment 2: Molecular Dynamics Simulation of a Lennard-Jones Liquid," https://nanohub.org/resources/4052.