
3D wavefunctions
12 Apr 2010  Animations  Contributor(s): Saumitra Raj Mehrotra, Gerhard Klimeck
In quantum mechanics the timeindependent Schrodinger's equation can be solved for eigenfunctions (also called eigenstates or wavefunctions) and corresponding eigenenergies (or energy levels) for...
http://nanohub.org/resources/8805

CGTB
15 Jun 2006  Tools  Contributor(s): Gang Li, Yang Xu, Narayan Aluru
Compute the charge density distribution and potential variation inside a MOS structure by using a coarsegrained tight binding model
http://nanohub.org/resources/cgtb

CNDO/INDO
09 Oct 2007  Tools  Contributor(s): Baudilio Tejerina, Jeff Reimers
Semiempirical Molecular Orbital calculations.
http://nanohub.org/resources/CNDO

Computational Nanoscience, Lecture 20: Quantum Monte Carlo, part I
15 May 2008  Teaching Materials  Contributor(s): Elif Ertekin, Jeffrey C Grossman
This lecture provides and introduction to Quantum Monte Carlo methods. We review the concept of electron correlation and introduce Variational Monte Carlo methods as an approach to going beyond...
http://nanohub.org/resources/4564

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 nonderivative methods are discussed, as well as the...
http://nanohub.org/resources/4035

Discussion Session 3 (Lectures 5 and 6)
09 Sep 2010  Online Presentations  Contributor(s): Supriyo Datta
“Electronics from the Bottom Up” is an educational initiative designed to bring a new perspective to the field of nano device engineering. It is cosponsored by the Intel Foundation and the...
http://nanohub.org/resources/9679

ECE 656 Lecture 1: Bandstructure Review
26 Aug 2009  Online Presentations  Contributor(s): Mark Lundstrom
Outline:
Bandstructure in bulk semiconductors
Quantum confinement
Summary
Section 1.2, Lundstrom, Fundamentals of Carrier Transport
http://nanohub.org/resources/7287

ECE 656 Lecture 27: Scattering of Bloch Electrons
13 Nov 2009  Online Presentations  Contributor(s): Mark Lundstrom
Outline:
Umklapp processes
Overlap integrals
ADP Scattering in graphene
http://nanohub.org/resources/7827

ElectroMat
27 Mar 2007  Tools  Contributor(s): Alexander Gavrilenko, Heng Li
KronigPenney Potential
http://nanohub.org/resources/electromat

Introduction to Quantum Dot Lab
31 Mar 2008  Online Presentations  Contributor(s): Sunhee Lee, Hoon Ryu, Gerhard Klimeck
The nanoHUB tool "Quantum Dot Lab" allows users to compute the quantum mechanical "particle in a box" problem for a variety of different
confinement shapes, such as boxes, ellipsoids, disks, and...
http://nanohub.org/resources/4194

Lecture 5: Electron Spin: How to rotate an electron to control the current
09 Sep 2010  Online Presentations  Contributor(s): Supriyo Datta
“Electronics from the Bottom Up” is an educational initiative designed to bring a new perspective to the field of nano device engineering. It is cosponsored by the Intel Foundation and the...
http://nanohub.org/resources/9671

Periodic Potential
21 Feb 2007  Tools  Contributor(s): Heng Li, Alexander Gavrilenko
Calculation of the allowed and forbidden states in a periodic potential
http://nanohub.org/resources/periodicpot

Periodic Potential Lab
19 Jan 2008  Tools  Contributor(s): Abhijeet Paul, Junzhe Geng, Gerhard Klimeck
Solve the time independent schrodinger eqn. for arbitrary periodic potentials
http://nanohub.org/resources/kronig_penney

Periodic Potential Lab Demonstration: Standard KroenigPenney Model
11 Jun 2009  Animations  Contributor(s): Gerhard Klimeck, Benjamin P Haley
This video shows the simulation of a 1D square well using the Periodic Potential Lab. The calculated output includes plots of the allowed energybands, a table of the band edges and band gaps,...
http://nanohub.org/resources/6839

Quantum Ballistic Transport in Semiconductor Heterostructures
27 Aug 2007  Papers  Contributor(s): Michael McLennan
The development of epitaxial growth techniques has sparked a growing interest in an entirely quantum mechanical description of carrier transport. Fabrication methods, such as molecular beam...
http://nanohub.org/resources/3086

Quantum Dot Lab
12 Nov 2005  Tools  Contributor(s): Prasad Sarangapani, Daniel F Mejia, James Charles, Andrew Roché, Lars Bjaalie, Sebastian Steiger, David Ebert, Matteo Mannino, HongHyun Park, Tillmann Christoph Kubis, James Fonseca, Michael Povolotskyi, Michael McLennan, Gerhard Klimeck
Compute the eigenstates of a particle in a box of various shapes including domes, pyramids and multilayer structures.
http://nanohub.org/resources/qdot

Quantum Dot Lab Demonstration: Pyramidal Qdots
11 Jun 2009  Animations  Contributor(s): Gerhard Klimeck, Benjamin P Haley
This video shows the simulation and analysis of a pyramidshaped quantum dot using Quantum Dot Lab. Several powerful analytic features of this tool are demonstrated.
http://nanohub.org/resources/6845

Quantum Dot Lab Learning Module: An Introduction
02 Jul 2007  Learning Modules  Contributor(s): James K Fodor, Jing Guo
THIS MATERIAL CORRESPONDS TO AN OLDER VERSION OF QUANTUM DOT LAB THAN CURRENTLY AVAILABLE ON nanoHUB.org.
http://nanohub.org/resources/2846

The Diatomic Molecule
31 Mar 2009  Online Presentations  Contributor(s): Vladimir I. Gavrilenko
http://nanohub.org/resources/6586

Theoretical Electron Density Visualizer
01 Jul 2008  Tools  Contributor(s): Baudilio Tejerina
TEDVis calculates and displays 3D maps of molecular ED and its derivatives from the wave function.
http://nanohub.org/resources/tedvis