On Monday July 6th, the nanoHUB will be intermittently unavailable due to scheduled maintenance. All tool sessions will be shut down early in the morning. Home directories and tools will be unavailable most of the day. We apologize for any inconvenience this may cause. close


Support Options

Submit a Support Ticket


Computational Nanoscience, Homework Assignment 3: Molecular Dynamics Simulation of Carbon Nanotubes

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 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.


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 3: Molecular Dynamics Simulation of Carbon Nanotubes," http://nanohub.org/resources/4054.

    BibTex | EndNote


nanoHUB.org, a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.