
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

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

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

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

An Experimentalists’ Perspective
19 Dec 2007  Online Presentations  Contributor(s): Arunava Majumdar
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/3628

Computational Modeling: Experience from my Bell Lab Days
19 Dec 2007  Online Presentations  Contributor(s): Muhammad A. Alam
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/3633

TCAD Revisited, 2007: An Engineer’s Point of View
19 Dec 2007  Online Presentations  Contributor(s): Constantin Bulucea
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/3638

Excellence in Computer Simulation
19 Dec 2007  Workshops  Contributor(s): Mark Lundstrom, Jeffrey B. Neaton, Jeffrey C Grossman
Computational science is frequently labeled as a third branch of science  equal in standing with theory and experiment, and computational engineering is now an essential component of technology...
http://nanohub.org/resources/3617