Carbon NanoTubes: Structure - Properties - Applications

19 Mar 2012 | Teaching Materials | Contributor(s): Yuri A Kruglyak

Presentation slides for seminar given for students of Faculty of Computer Sciences of Odessa State Environmental University, Ukraine by Prof. Yuri Kruglyak on May 22, 2008.

http://nanohub.org/resources/13530

ABINIT: First-Time User Guide

09 Jun 2009 | Teaching Materials | Contributor(s): Benjamin P Haley

This first-time user guide provides an introduction to using ABINIT on nanoHUB. We include a very brief summary of Density Functional Theory along with a tour of the Rappture interface. We discuss …

http://nanohub.org/resources/6874

Computational Nanoscience, Lecture 4: Geometry Optimization and Seeing What You're Doing

13 Feb 2008 | Teaching Materials | Contributor(s): Jeffrey C Grossman, Elif Ertekin

In this lecture, we discuss various methods for finding the ground state structure of a given system by minimizing its energy. Derivative and non-derivative methods are discussed, as well as the …

http://nanohub.org/resources/4035

Computational Nanoscience, Lecture 3: Computing Physical Properties

11 Feb 2008 | Teaching Materials | Contributor(s): Jeffrey C Grossman, Elif Ertekin

In this lecture, we'll cover how to choose initial conditions, and how to compute a number of important physical observables from the MD simulation. For example, temperature, pressure, diffusion …

http://nanohub.org/resources/4028

Semiconductor Device Education Material

28 Jan 2008 | Teaching Materials | Contributor(s): Gerhard Klimeck

This page has moved to "a Wiki page format" When we hear the words, semiconductor device, we may think first of the transistors in PCs or video game consoles, but transistors are the basic …

http://nanohub.org/resources/edu_semi