Berkeley Computational Nanoscience Class Tools

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This tool version is unpublished and cannot be run.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 1.3
Published on 11 Mar 2008, unpublished on 19 Mar 2008 All versions

doi:10.4231/D3SX6487G cite this

Category

Tools

Published on

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.

Credits

Development Team: Daniel Richards, Josef Ringgenberg, Elif Ertekin, Jeff Grossman.

Cite this work

Researchers should cite this work as follows:

  • Jeffrey C Grossman; Joe Ringgenberg; Elif Ertekin; daniel richards (2017), "Berkeley Computational Nanoscience Class Tools," http://nanohub.org/resources/ucb_compnano. (DOI: 10.4231/D3SX6487G).

    BibTex | EndNote

Tags

  1. computational chemistry
  2. computational materials
  3. computational science/engineering
  4. ab initio
  5. molecular simulations
  6. Monte Carlo
  7. quantum Monte Carlo
  8. nanoelectronics
  9. nanoelectronics
  10. ab initio
  11. computational chemistry
  12. computational materials
  13. computational science/engineering
  14. molecular simulations
  15. Monte Carlo
  16. quantum Monte Carlo
  17. nanoelectronics
  18. ab initio
  19. computational chemistry
  20. computational materials
  21. computational science/engineering
  22. molecular simulations
  23. Monte Carlo
  24. quantum Monte Carlo
  25. density functional theory
  26. band structure
  27. nanomaterials
  28. NCN Supported
  29. NCN@Berkeley Supported
  30. NCN Supported
  31. NCN@Berkeley Supported
  32. band structure
  33. density functional theory
  34. nanomaterials
  35. NCN Supported
  36. NCN@Berkeley Supported