
Amorphous Silicon Generator
21 Oct 2010  Tools  Contributor(s): Eric Carl Johlin, Lucas Wagner, Jeffrey C Grossman, Justin Riley, David Strubbe
aSi:H Generator

CNT Heterojunction Modeler
20 Mar 2008  Tools  Contributor(s): Joe Ringgenberg, Joydeep Bhattacharjee, Jeffrey B. Neaton, Jeffrey C Grossman
Study the structure and electronic properties of carbon nanotubes with linear heterojunctions.

Computational Nanoscience for Energy
15 Sep 2009  Teaching Materials  Contributor(s): Jeffrey C Grossman, Alexander S McLeod
Materials for energy conversion and storage can be greatly improved by taking advantage of unique effects that occur at the nanoscale. In many cases, these improvements are due to fundamental microscopic mechanisms that can be understood and predicted by cuttingedge simulation methods. This course will provide students with the fundamentals of computational problemsolving techniques that are used to elucidate the atomicscale behavior of energy conversion and storage nanomaterials.
Jeffrey ...

Computational Nanoscience, Homework Assignment 1: Averages and Statistical Uncertainty
30 Jan 2008  Teaching Materials  Contributor(s): Jeffrey C Grossman, Elif Ertekin
The purpose of this assignment is to explore statistical errors and data correlation.
This assignment is to be completed following lectures 1 and 2 using the "Average" program in the Berkeley Computational Nanoscience Toolkit.University of California, Berkeley

Computational Nanoscience, Homework Assignment 2: Molecular Dynamics Simulation of a LennardJones Liquid
14 Feb 2008  Teaching Materials  Contributor(s): Elif Ertekin, Jeffrey C Grossman
The purpose of this assignment is to perform a full molecular dynamics simulation based on the Verlet algorithm to calculate various properties of a simple liquid, modeled as an ensemble of identical classical particles interacting via the LennardJones potential.
This assignment is to be completed following lectures 3 and 4 using the "LennardJones Molecular Dynamics" program in the Berkeley Computational Nanoscience Toolkit.
University of California, Berkeley