Berkeley GW

27 Sep 2009 | 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 many-body perturbation theory within the GW approximation

http://nanohub.org/resources/7446

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 Physics …

http://nanohub.org/resources/7321

Band Structure Lab Demonstration: Bulk Strain

03 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: 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

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

http://nanohub.org/resources/5603

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.

http://nanohub.org/resources/5223

Stationary Perturbation Theory: an Exercise for PCPBT

28 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 well. …

http://nanohub.org/resources/5130

Band Structure Lab

19 May 2006 | Tools | Contributor(s): Abhijeet Paul, Mathieu Luisier, Neophytos Neophytou, Raseong Kim, Junzhe Geng, Michael McLennan, Mark Lundstrom, Gerhard Klimeck

Computes the electronic structure of various materials in the spatial configuration of bulk (infinitely periodic), quantum wells (confined in one dimension, infinitely periodic in 2 dimensions), and …

http://nanohub.org/resources/1308