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 …

https://nanohub.org/resources/6874

Basics of Quantum Mechanics

01 Jun 2010 | Teaching Materials | Contributor(s): Dragica Vasileska

Classical vs. Quantum physics, particle-wave duality, postulates of quantum mechanics

https://nanohub.org/resources/9101

Computational Nanoscience, Lecture 13: Introduction to Computational Quantum Mechanics

30 Apr 2008 | Teaching Materials | Contributor(s): Jeffrey C Grossman, Elif Ertekin

In this lecture we introduce the basic concepts that will be needed as we explore simulation approaches that describe the electronic structure of a system.

https://nanohub.org/resources/4491

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 …

https://nanohub.org/resources/4564

Computational Nanoscience, Lecture 21: Quantum Monte Carlo, part II

15 May 2008 | Teaching Materials | Contributor(s): Jeffrey C Grossman, Elif Ertekin

This is our second lecture in a series on Quantum Monte Carlo methods. We describe the Diffusion Monte Carlo approach here, in which the approximation to the solution is not restricted by choice of …

https://nanohub.org/resources/4566

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 non-derivative methods are discussed, as well as the …

https://nanohub.org/resources/4035

Finite Height Quantum Well: an Exercise for Band Structure

31 Jan 2008 | Teaching Materials | Contributor(s): David K. Ferry

Use the Resonant Tunneling Diodes simulation tool on nanoHUB to explore the effects of finite height quantum wells. Looking at a 2 barrier device, 300 K, no bias, other standard variables, and 3 nm …

https://nanohub.org/resources/3949

Homework Assignment: Wavepackets

07 Jul 2008 | Teaching Materials | Contributor(s): Dragica Vasileska, Gerhard Klimeck

www.eas.asu.edu/~vasileskNSF

https://nanohub.org/resources/4930

Introduction to Coulomb Blockade Lab

31 Mar 2008 | Teaching Materials | Contributor(s): Bhaskaran Muralidharan, Xufeng Wang, Gerhard Klimeck

The tutorial is based on the Coulomb Blockade Lab available online at Coulomb Blockade Lab. Students are introduced to the concepts of level broadening and charging energies in artificial atoms …

https://nanohub.org/resources/4231

ME 597 Homework 1: Quantum Transmission

18 Oct 2010 | Teaching Materials | Contributor(s): Ron Reifenberger

Problems: Transmission through a Square Barrier Transmission resonances for an array of square barriers A simple model for the vdW interaction

https://nanohub.org/resources/9885

Molecular Orbital Theory

18 Dec 2006 | Teaching Materials | Contributor(s): Luis Emmanuel Bonilla

This is the seventh contribution from the students in the University of Texas at El Paso Molecular Electronics course given in the fall of 2006. Luis Bonilla and Abel Perez have designed a …

https://nanohub.org/resources/2116

Quantum Dot Spectra, Absorption, and State Symmetry: an Exercise

30 Mar 2008 | Teaching Materials | Contributor(s): Gerhard Klimeck

The tutorial questions based on the Quantum Dot Lab v1.0 available online at Quantum Dot Lab. Students are asked to explore the various different quantum dot shapes, optimize the intra-band …

https://nanohub.org/resources/4203

Quantum Mechanics for Engineers: Course Assignments

30 Jul 2008 | Teaching Materials | Contributor(s): Dragica Vasileska, Gerhard Klimeck

This set of exercises should help the students better understand the basic principles of quantum mechanics as applied to engineering problems. Introductory concepts in Quantum Mechanics …

https://nanohub.org/resources/5164

Quantum-Mechanical Reflections in Nanodevices: an Exercise

02 Jul 2008 | Teaching Materials | Contributor(s): Dragica Vasileska, Gerhard Klimeck

This exercise points out to the fact that quantum-mechanical reflections are going to be significant in nanoscale devices and proper modeling of these device structures must take into consideration …

https://nanohub.org/resources/4849

Quantum-Mechanical Reflections: an Exercise

30 Jun 2008 | Teaching Materials | Contributor(s): Dragica Vasileska, Gerhard Klimeck

…

https://nanohub.org/resources/4831

Reading Material for Introductory Concepts in Quantum Mechanics

07 Jul 2008 | Teaching Materials | Contributor(s): Dragica Vasileska

…

https://nanohub.org/resources/4911

Reading Material: Examples and Stark Effect

10 Jul 2008 | Teaching Materials | Contributor(s): Dragica Vasileska

www.eas.asu.edu/~vasileskNSF

https://nanohub.org/resources/5002

Reading Material: Harmonic Oscillator

09 Jul 2008 | Teaching Materials | Contributor(s): Dragica Vasileska

www.eas.asu.edu/~vasileskNSF

https://nanohub.org/resources/4964

Reading Material: Postulates of Quantum Mechanics

07 Jul 2008 | Teaching Materials | Contributor(s): Dragica Vasileska

www.eas.asu.edu

https://nanohub.org/resources/4924

Reading Material: What is Quantum Mechanics?

08 Jul 2008 | Teaching Materials | Contributor(s): Dragica Vasileska, Gerhard Klimeck

NSF

https://nanohub.org/resources/4938