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

Cite this work

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," http://nanohub.org/resources/4052.

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Tags

  1. molecular dynamics
  2. computational science/engineering
  3. computational materials