
NanoPlasmonic Bowtie Antenna Simulator
15 Dec 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
21 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
29 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
15 Apr 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
04 Mar 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
29 Feb 2008  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

Scaling Simulation Impact
20 Dec 2007  Online Presentations  Contributor(s): Ian Foster
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/3696

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

NanoElectronic MOdeling: NEMO
20 Dec 2007  Online Presentations  Contributor(s): Gerhard Klimeck
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 computational...
http://nanohub.org/resources/3707

Session 3: Discussion
20 Dec 2007  Online Presentations
Discussion led by Jim Demmel, University of California at Berkeley.
http://nanohub.org/resources/3734

Session 4: Discussion
20 Dec 2007  Online Presentations
Discussion led by Mark Allendorf, Sandia National Laboratory.
http://nanohub.org/resources/3737

Computational Mathematics: Role, Impact, Challenges
20 Dec 2007  Online Presentations  Contributor(s): Juan C. Meza
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/3701

Session 1: Discussion
19 Dec 2007  Online Presentations
Discussion led by Mark Lundstrom, Purdue University.
http://nanohub.org/resources/3731