
Berkeley GW
31 Jan 2011  Tools  Contributor(s): Alexander S McLeod, Peter Doak, Sahar Sharifzadeh, Jeffrey B. Neaton
This is an educational tool that illustrates the calculation of the electronic structure of materials using manybody perturbation theory within the GW approximation
http://nanohub.org/resources/berkeleygw

ME 597 Lecture 1: Introduction to Basic Quantum Mechanics
01 Sep 2009  Online Presentations  Contributor(s): Ron Reifenberger
Note: This lecture has been revised since its original presentation.
Topics:
Introduction to Basic Quantum Mechanics
Energy States in Periodic Crystals
Course is dual listed as...
http://nanohub.org/resources/7321

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.
http://nanohub.org/resources/6815

ABINIT: FirstTime User Guide
09 Jun 2009  Teaching Materials  Contributor(s): Benjamin P Haley
This firsttime 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...
http://nanohub.org/resources/6874

Thermoelectric Power Factor Calculator for Nanocrystalline Composites
21 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 NonEquilibrium Green's Functions
http://nanohub.org/resources/nccpf

Northwestern University Initiative for Teaching Nanoscience
20 Aug 2008  Tools  Contributor(s): Baudilio Tejerina
This package allows users to study and analyze of molecular properties using various electronic structure methods.
http://nanohub.org/resources/nuitns

Stationary Perturbation Theory: an Exercise for PCPBT
29 Jul 2008  Teaching Materials  Contributor(s): Dragica Vasileska, Gerhard Klimeck
This exercise allows us to test the first and second order stationary perturbation theory and explain mathematically the shift in the energies due to a small perturbation in a quantum...
http://nanohub.org/resources/5130