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 …

https://nanohub.org/resources/6874

Band Structure Lab Demonstration: Bulk Strain

12 Jun 2009 | Animations | Contributor(s): Gerhard Klimeck

This video shows an electronic structure calculation of bulk Si using Band Structure Lab. Several powerful features of this tool are demonstrated.

https://nanohub.org/resources/6815

Northwestern University Initiative for Teaching Nanoscience

12 Aug 2008 | Tools | Contributor(s): Baudilio Tejerina

This package allows users to study and analyze of molecular properties using various electronic structure methods.

https://nanohub.org/resources/nuitns

Quantum Mechanics: Harmonic Oscillator

09 Jul 2008 | Series | Contributor(s): Dragica Vasileska, Gerhard Klimeck

The quantum harmonic oscillator is the quantum mechanical analogue of the classical harmonic oscillator. It is one of the most important model systems in quantum mechanics because an arbitrary …

https://nanohub.org/resources/4978

Slides: Harmonic Oscillator - Brute Force Approach

09 Jul 2008 | Teaching Materials | Contributor(s): Dragica Vasileska, David K. Ferry

www.eas.asu.edu/~vasileskNSF

https://nanohub.org/resources/4968

Thermoelectric Power Factor Calculator for Nanocrystalline Composites

18 Oct 2008 | Tools | Contributor(s): Terence Musho, Greg Walker

Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in a 2D Nanocrystalline Composite Structure using Non-Equilibrium Green's Functions

https://nanohub.org/resources/nccpf