
NCN Nanomaterials: Simulation Tools for Education
02 Jun 2009  Series
http://nanohub.org/resources/6809

NCN Nanomaterials: Simulation Tools for Research
02 Jun 2009  Series
http://nanohub.org/resources/6810

Resonant Tunneling Diode Simulation with NEGF: FirstTime User Guide
01 Jun 2009  Teaching Materials  Contributor(s): Samarth Agarwal, Gerhard Klimeck
This firsttime user guide for Resonant Tunneling Diode Simulation with NEGF provides some fundamental concepts regarding RTDs along with details on how device geometry and simulation parameters...
http://nanohub.org/resources/6791

EPR  ESR
14 Apr 2009  Tools  Contributor(s): Baudilio Tejerina, Joshua Telser
This program calculates the powder pattern EPR spectra of a 2spin electronic system.
http://nanohub.org/resources/dpowj

Theoretical Analysis of Gold Nanoparticles
06 May 2009  Teaching Materials  Contributor(s): Jon Camden, George C. Schatz, Baudilio Tejerina
All physical and chemical properties are size dependent, and the properties of materials on the nanosize scale have important consequences in wide ranging fields. Exploiting nanoscale behavior...
http://nanohub.org/resources/6737

Thermoelectric Power Factor Calculator for Superlattices
18 Oct 2008  Tools  Contributor(s): Terence Musho, Greg Walker
Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in 1D Superlattice Structures using NonEquilibrium Green's Functions
http://nanohub.org/resources/slpf

NanoPlasmonic Bowtie Antenna Simulator
18 Mar 2008  Tools  Contributor(s): Alexander S McLeod, Jeffrey B. Neaton, P. James Schuck, Eugene Song, Graham Chapman
A tool for simulating the nearfield enhancement effects of nanoscale bowtie antennae.
http://nanohub.org/resources/bowtie

Thermoelectric Power Factor Calculator for Nanocrystalline Composites
18 Oct 2008  Tools  Contributor(s): Terence Musho, Greg Walker
Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in a 2D Nanocrystalline Composite Structure using NonEquilibrium Green's Functions
http://nanohub.org/resources/nccpf

Tutorial for NanogromacsSenior
28 Apr 2008  Online Presentations  Contributor(s): Dairui Chen
Breezed and uploaded by Cezary Wojtkowski
University of Illinois at UrbanaChampaign
http://nanohub.org/resources/4446

nanoHUB.org: Future Cyberinfrastructure Serving a Community of 60,000 Today
23 Apr 2008  Online Presentations  Contributor(s): George B. Adams III, Gerhard Klimeck, Mark Lundstrom, Michael McLennan
nanoHUB.org provides users with "fingertip access" to over 70 simulation tools for research and education. Users not only launch jobs that are executed on the stateoftheart computational...
http://nanohub.org/resources/4395

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

Quantum and Semiclassical Electrostatics Simulation of SOI Trigates
19 Feb 2008  Tools  Contributor(s): HyungSeok Hahm, Andres Godoy
Generate quantum/semiclassical electrostatic simulation results for a simple Trigate structure
http://nanohub.org/resources/MCTrigate

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

Computational Nanoscience, Lecture 7: Monte Carlo Simulation Part I
15 Feb 2008  Teaching Materials  Contributor(s): Jeffrey C Grossman, Elif Ertekin
The purpose of this lecture is to introduce Monte Carlo methods as a form of stochastic simulation. Some introductory examples of Monte Carlo methods are given, and a basic introduction to...
http://nanohub.org/resources/4044

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

Opening Remarks: Excellence in Computer Simulation
03 Jan 2008  Online Presentations  Contributor(s): Mark Lundstrom
Opening remarks for the oneday forum,
"Excellence in Computer Simulation," which brought together a broad
set of experts to reflect on the future of computational science and
engineering.
http://nanohub.org/resources/3771

Excellence in Computer Simulation: Computational Materials
20 Dec 2007  Online Presentations  Contributor(s): Eric Schwegler
This presentation was one of 13 presentations in the oneday forum,
"Excellence in Computer Simulation," which brought together a broad
set of experts to reflect on the future of...
http://nanohub.org/resources/3721

Perspectives on Computational Quantum Chemistry
20 Dec 2007  Online Presentations  Contributor(s): Martin P. HeadGordon
This presentation was one of 13 presentations in the oneday forum,
"Excellence in Computer Simulation," which brought together a broad
set of experts to reflect on the future of...
http://nanohub.org/resources/3726

Can numerical “experiments” INSPIRE physical experiments?
20 Dec 2007  Online Presentations  Contributor(s): Supriyo Datta
This presentation was one of 13 presentations in the oneday forum,
"Excellence in Computer Simulation," which brought together a broad
set of experts to reflect on the future of...
http://nanohub.org/resources/3716

Challenges and Strategies for High End Computing
20 Dec 2007  Online Presentations  Contributor(s): Katherine A. Yelick
This presentation was one of 13 presentations in the oneday forum,
"Excellence in Computer Simulation," which brought together a broad
set of experts to reflect on the future of...
http://nanohub.org/resources/3706