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Berkeley Computational Nanoscience Class Tools

By Jeffrey C Grossman1, Joe Ringgenberg2, Elif Ertekin3, Daniel Richards2

1. Massachusetts Institute of Technology 2. University of California, Berkeley 3. University of Illinois at Urbana-Champaign

Tools for UC Berkeley Computational Nanoscience course, Spring 2008

Launch Tool

This tool version is unpublished and cannot be run. If you would like to have this version staged, you can put a request through HUB Support.

Archive Version 1.2.2
Published on 28 Feb 2008, unpublished on 05 Mar 2008
Latest version: 4.3. All versions

doi:10.4231/D32F7JQ79 cite this

This tool is closed source.

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Tools

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Abstract

This toolkit complements the Berkeley Computational Nanoscience class lecture series.

This set of simulation tools has been developed for use with a course at U.C. Berkeley, taught by Elif Ertekin and Jeffrey Grossman, which provides students with the fundamentals of computational problem-solving techniques that are used to understand and predict properties of nanoscale systems. Emphasis is placed on how to use simulations effectively, intelligently, and cohesively to predict properties that occur at the nanoscale for real systems. The course is designed to present a broad overview of computational nanoscience and is therefore suitable for both experimental and theoretical researchers.

These tools will continue to be updated throughout the Spring term of 2008. When the course is completed, the following simulations will be run by the tool:

  1. Averages and Error Bars
  2. Molecular Dynamics (Lennard-Jones)
  3. Molecular Dynamics (LAMMPS)
  4. Monte Carlo (Hard Sphere)
  5. Monte Carlo (Ising Model)
  6. Quantum Chemistry (GAMESS)
  7. Density Functional Theory (Siesta)
  8. Quantum Monte Carlo (QWalk)

Any questions, comments, difficulties should be directed to Elif or Jeff.

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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.