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ABINIT: First-Time User Guide
09 Jun 2009 | | 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 the default simulation (what happens if you don't change any inputs, and just hit "simulate") as...
Band Structure Lab Demonstration: Bulk Strain
12 Jun 2009 | | 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.
Northwestern University Initiative for Teaching Nanoscience
12 Aug 2008 | | Contributor(s):: Baudilio Tejerina
This package allows users to study and analyze of molecular properties using various electronic structure methods.
Quantum Mechanics: Harmonic Oscillator
out of 5 stars
09 Jul 2008 | | 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 potential can be approximated as a harmonic potential at the vicinity of a stable equilibrium point....
Slides: Harmonic Oscillator - Brute Force Approach
09 Jul 2008 | | Contributor(s):: Dragica Vasileska, David K. Ferry
Thermoelectric Power Factor Calculator for Nanocrystalline Composites
18 Oct 2008 | | 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