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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:
- Averages and Error Bars
- Molecular Dynamics (Lennard-Jones)
- Molecular Dynamics (LAMMPS)
- Monte Carlo (Hard Sphere)
- Monte Carlo (Ising Model)
- Quantum Chemistry (GAMESS)
- Density Functional Theory (Siesta)
- Quantum Monte Carlo (QWalk)
Any questions, comments, difficulties should be directed to Elif or Jeff.
Development Team: Daniel Richards, Josef Ringgenberg, Elif Ertekin, Jeff Grossman.
Cite this work
Researchers should cite this work as follows: