Amorphous Silicon Generator
21 Oct 2010 | Tools | Contributor(s): Eric Carl Johlin, Lucas Wagner, Jeffrey C Grossman, Justin Riley, David Strubbe
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 cutting-edge simulation methods. This course will provide students with the fundamentals of computational problem-solving techniques that are used to elucidate the atomic-scale behavior of energy conversion and storage nano-materials.
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 Lennard-Jones 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 Lennard-Jones potential.
This assignment is to be completed following lectures 3 and 4 using the "Lennard-Jones Molecular Dynamics" program in the Berkeley Computational Nanoscience Toolkit.
University of California, Berkeley