
Quantum Mechanics: Tunneling
08 Jul 2008   Contributor(s):: Dragica Vasileska, Gerhard Klimeck
In quantum mechanics, quantum tunnelling is a micro nanoscopic phenomenon in which a particle violates the principles of classical mechanics by penetrating a potential barrier or impedance higher than the kinetic energy of the particle. A barrier, in terms of quantum tunnelling, may be a form of...

Quantum Mechanics: Time Independent Schrodinger Wave Equation
07 Jul 2008   Contributor(s):: Dragica Vasileska, Gerhard Klimeck
In physics, especially quantum mechanics, the Schrödinger equation is an equation that describes how the quantum state of a physical system changes in time. It is as central to quantum mechanics as Newton's laws are to classical mechanics.In the standard interpretation of quantum mechanics, the...

Quantum Mechanics: Introductory Concepts
07 Jul 2008   Contributor(s):: Dragica Vasileska, Gerhard Klimeck, David K. Ferry
In this section of the Quantum Mechanics class we discuss the particlewave duality and the need for the quantization of energy to explain the blackbody radiation and the photoelectric effect. We provide reading material, slides and video, which in a very illustrative way, explain the most...

Reading Material for Introductory Concepts in Quantum Mechanics
07 Jul 2008   Contributor(s):: Dragica Vasileska

ParticleWave Duality: an Animation
07 Jul 2008   Contributor(s)::
This animation is publicly available at YouTube under http://www.youtube.com/watch?v=DfPeprQ7oGc

Reading Material: Postulates of Quantum Mechanics
07 Jul 2008   Contributor(s):: Dragica Vasileska
www.eas.asu.edu

Homework Assignment: Wavepackets
07 Jul 2008   Contributor(s):: Dragica Vasileska, Gerhard Klimeck
www.eas.asu.edu/~vasileskNSF

Quantum Mechanics: Wavepackets
07 Jul 2008   Contributor(s):: Dragica Vasileska, Gerhard Klimeck
In physics, a wave packet is an envelope or packet containing an arbitrary number of wave forms. In quantum mechanics the wave packet is ascribed a special significance: it is interpreted to be a "probability wave" describing the probability that a particle or particles in a particular state...

Reading Material: What is Quantum Mechanics?
08 Jul 2008   Contributor(s):: Dragica Vasileska, Gerhard Klimeck
NSF

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

QuantumMechanical Reflections in Nanodevices: an Exercise
02 Jul 2008   Contributor(s):: Dragica Vasileska, Gerhard Klimeck
This exercise points out to the fact that quantummechanical reflections are going to be significant in nanoscale devices and proper modeling of these device structures must take into consideration the quantummechanical reflections.NSF, ONRDragica Vasileska personal website...

QuantumMechanical Reflections: an Exercise
30 Jun 2008   Contributor(s):: Dragica Vasileska, Gerhard Klimeck

Dynamics of Quantum Fluids: Path integral and Semiclassical Methods
21 May 2008   Contributor(s):: Nancy Makri
The interplay of manybody nonlinear interactions and quantum mechanical effects such as zeropoint motion or identical particle exchange symmetries lead to intriguing phenomena in lowtemperature fluids, some of which remain poorly understood. Recent advances in theory and methodology have...

Computational Nanoscience, Lecture 20: Quantum Monte Carlo, part I
15 May 2008   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 mean field approximation. We describe briefly the SlaterJastrow expansion of the wavefunction,...

Computational Nanoscience, Lecture 21: Quantum Monte Carlo, part II
15 May 2008   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 a functional form for the wavefunction. The DMC approach is explained, and the fixed node...

Computational Nanoscience, Lecture 13: Introduction to Computational Quantum Mechanics
30 Apr 2008   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.

UV/Vis Spectra simulator
04 Mar 2008   Contributor(s):: Baudilio Tejerina
This tool computes molecular electronic spectra.

Introduction to Coulomb Blockade Lab
31 Mar 2008   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 (single quantum dots) and molecules (coupled quantum dots).A tutorial level introduction to the...

Introduction to Quantum Dot Lab
31 Mar 2008   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 differentconfinement shapes, such as boxes, ellipsoids, disks, and pyramids. Users can explore, interactively, the energy spectrum and orbital shapes of new quantized...

Quantum Dot Spectra, Absorption, and State Symmetry: an Exercise
30 Mar 2008   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 intraband absorption through geometry variations, and consider the concepts of state symmetry and eigenstates.NCN@Purdue