The purpose of this assignment is to perform molecular dynamics simulations to calculate various properties of carbon nanotubes using LAMMPS and Tersoff potentials.

This assignment is to be completed following lectures 5 and 6 using the "LAMMPS" program in the Berkeley Computational Nanoscience Toolkit.

Researchers should cite this work as follows:

• Elif Ertekin, Jeffrey C Grossman (2008), "Computational Nanoscience, Homework Assignment 3: Molecular Dynamics Simulation of Carbon Nanotubes," https://nanohub.org/resources/4054.

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