
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

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

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 a …
http://nanohub.org/resources/8805

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

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

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, plots …
http://nanohub.org/resources/6839

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

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/4837

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 the …
http://nanohub.org/resources/4564

UV/Vis Spectra simulator
04 Mar 2008  Tools  Contributor(s): Baudilio Tejerina
This tool computes molecular electronic spectra.
http://nanohub.org/resources/4130

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

CNDO/INDO
09 Oct 2007  Tools  Contributor(s): Baudilio Tejerina, Jeff Reimers
Semiempirical Molecular Orbital calculations.
http://nanohub.org/resources/3352

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

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/3847

Quantum Ballistic Transport in Semiconductor Heterostructures
27 Aug 2007  Publications  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 epitaxy …
http://nanohub.org/resources/3086

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

Quantum Bound State
27 Mar 2007  Tools  Contributor(s): Alexander Gavrilenko, Heng Li
Particle in a box  The particle in a box (or the infinite potential well) is a simple idealized system that is completely solved within quantum mechanics. The infinite potential well is a finite …
http://nanohub.org/resources/2531

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/2346

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/1586