
Development of the ReaxFF reactive force fields and applications to combustion, catalysis and material failure
12 Sep 2011   Contributor(s):: Adri van Duin
This lecture will describe how the traditional, nonreactive FFconcept can be extended for application including reactive events by introducing bond order/bond distance concepts. Furthermore, it will address how these reactive force fields can be trained against QMdata, thus greatly enhancing...

Allan Maple Oliveira
http://nanohub.org/members/57468

K. Birgitta Whaley
Professor of Chemistry, UC BerkeleyDirector, Berkeley Quantum Information and Computation Center
http://nanohub.org/members/56772

Quantum Dot Lab Learning Materials
By completing the Quantum Dot Lab, users will be able to a) understand the 3D confinement of carriers in a quantum dot, b) describe effects of geometry of a quantum dot on the energy states of...
http://nanohub.org/wiki/QDotLab

PfFP Lecture 30: Quantum Physics II
27 Apr 2011   Contributor(s):: Jerry M. Woodall

PfFP Lecture 29: Quantum Physics I
14 Apr 2011   Contributor(s):: Jerry M. Woodall

PfFP Lecture 31: Quantum Physics III
14 Apr 2011   Contributor(s):: Jerry M. Woodall

Alessandro Motta
http://nanohub.org/members/53317

Loren Troescher
Harvard MBA, health researcher, author, public speaker, web master, 79 years old, Kung Fu Black Belt
http://nanohub.org/members/53025

In the context of molecular dynamics, when does classical mechanics breakdown?
Closed  Responses: 0
In the context of molecular dynamics, when does classical mechanics breakdown?
I viewed a lecture and wrote down some of the main points that the professor discussed. One of them was the...
http://nanohub.org/answers/question/726

ME 597 Homework 1: Quantum Transmission
18 Oct 2010   Contributor(s):: Ron Reifenberger
Problems:Transmission through a Square BarrierTransmission resonances for an array of square barriersA simple model for the vdW interaction

Basics of Quantum Mechanics
01 Jun 2010   Contributor(s):: Dragica Vasileska
Classical vs. Quantum physics, particlewave duality, postulates of quantum mechanics

Nanoelectronic Modeling Lecture 25b: NEMO1D  Hole Bandstructure in Quantum Wells and Hole Transport in RTDs
09 Mar 2010   Contributor(s):: Gerhard Klimeck
Heterostructures such as resonant tunneling diodes, quantum well photodetectors and lasers, and cascade lasers break the symmetry of the crystalline lattice. Such break in lattice symmetry causes a strong interaction of heavy, light and splitoff hole bands. The bandstructure of holes and the...

Is there a good simulation of protonneutron interaction?
Closed  Responses: 0
I have recently been exposed to several new material about quantum mechanics, and I am really interested in the atomic interaction and what new applications can be found out of it; so I was just...
http://nanohub.org/answers/question/467

Quantum Mechanics for Electrical Engineers
More coming…
http://nanohub.org/wiki/QuantumMechanicsforElectricalEngineers

Suseendran Jayachandran
http://nanohub.org/members/41892

Saima Sharmin
I am a Ph.D. student at ECE department, Purdue University. I joined Professor Gerhard Klimeck's NEMO (Nanoelectronic Modeling) group as a Graduate Research Assistant in August 2012. Earlier I...
http://nanohub.org/members/39495

ME 597 Lecture 1: Introduction to Basic Quantum Mechanics
01 Sep 2009   Contributor(s):: Ron Reifenberger
Note: This lecture has been revised since its original presentation.Topics:Introduction to Basic Quantum MechanicsEnergy States in Periodic Crystals

PieceWise Constant Potential Barriers Tool Demonstration: Bandstructure Formation with Finite Superlattices
11 Jun 2009   Contributor(s):: Gerhard Klimeck, Benjamin P Haley
This video shows the simulation and analysis of a systems with a series of potential barriers. Several powerful analytic features of Piecewise Constant Potential Barrier Tool (PCPBT) are demonstrated.

ABINIT: FirstTime User Guide
09 Jun 2009   Contributor(s):: Benjamin P Haley
This firsttime 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 the default simulation (what happens if you don't change any inputs, and just hit "simulate") as...