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Tags: Simulation

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  1. Tutorial for NanogromacsSenior

    28 Apr 2008 | Online Presentations | Contributor(s): Dairui Chen

    Breezed and uploaded by Cezary Wojtkowski University of Illinois at Urbana-Champaign

    http://nanohub.org/resources/4446

  2. 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 state-of-the-art computational...

    http://nanohub.org/resources/4395

  3. UV/Vis Spectra simulator

    04 Mar 2008 | Tools | Contributor(s): Baudilio Tejerina

    This tool computes molecular electronic spectra.

    http://nanohub.org/resources/uvspec

  4. Quantum and Semi-classical Electrostatics Simulation of SOI Trigates

    19 Feb 2008 | Tools | Contributor(s): Hyung-Seok Hahm, Andres Godoy

    Generate quantum/semi-classical electrostatic simulation results for a simple Trigate structure

    http://nanohub.org/resources/MCTrigate

  5. CNDO/INDO

    09 Oct 2007 | Tools | Contributor(s): Baudilio Tejerina, Jeff Reimers

    Semi-empirical Molecular Orbital calculations.

    http://nanohub.org/resources/CNDO

  6. 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

  7. 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 non-derivative methods are discussed, as well as the...

    http://nanohub.org/resources/4035

  8. Opening Remarks: Excellence in Computer Simulation

    03 Jan 2008 | Online Presentations | Contributor(s): Mark Lundstrom

    Opening remarks for the one-day 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

  9. Excellence in Computer Simulation: Computational Materials

    20 Dec 2007 | Online Presentations | Contributor(s): Eric Schwegler

    This presentation was one of 13 presentations in the one-day forum, "Excellence in Computer Simulation," which brought together a broad set of experts to reflect on the future of...

    http://nanohub.org/resources/3721

  10. Perspectives on Computational Quantum Chemistry

    20 Dec 2007 | Online Presentations | Contributor(s): Martin P. Head-Gordon

    This presentation was one of 13 presentations in the one-day forum, "Excellence in Computer Simulation," which brought together a broad set of experts to reflect on the future of...

    http://nanohub.org/resources/3726

  11. Can numerical “experiments” INSPIRE physical experiments?

    20 Dec 2007 | Online Presentations | Contributor(s): Supriyo Datta

    This presentation was one of 13 presentations in the one-day forum, "Excellence in Computer Simulation," which brought together a broad set of experts to reflect on the future of...

    http://nanohub.org/resources/3716

  12. 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 one-day forum, "Excellence in Computer Simulation," which brought together a broad set of experts to reflect on the future of...

    http://nanohub.org/resources/3706

  13. NanoElectronic MOdeling: NEMO

    20 Dec 2007 | Online Presentations | Contributor(s): Gerhard Klimeck

    This presentation was one of 13 presentations in the one-day 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

  14. Scaling Simulation Impact

    20 Dec 2007 | Online Presentations | Contributor(s): Ian Foster

    This presentation was one of 13 presentations in the one-day forum, "Excellence in Computer Simulation," which brought together a broad set of experts to reflect on the future of...

    http://nanohub.org/resources/3696

  15. Session 3: Discussion

    20 Dec 2007 | Online Presentations

    Discussion led by Jim Demmel, University of California at Berkeley.

    http://nanohub.org/resources/3734

  16. Session 4: Discussion

    20 Dec 2007 | Online Presentations

    Discussion led by Mark Allendorf, Sandia National Laboratory.

    http://nanohub.org/resources/3737

  17. Computational Mathematics: Role, Impact, Challenges

    20 Dec 2007 | Online Presentations | Contributor(s): Juan C. Meza

    This presentation was one of 13 presentations in the one-day forum, "Excellence in Computer Simulation," which brought together a broad set of experts to reflect on the future of...

    http://nanohub.org/resources/3701

  18. Session 1: Discussion

    19 Dec 2007 | Online Presentations

    Discussion led by Mark Lundstrom, Purdue University.

    http://nanohub.org/resources/3731

  19. An Experimentalists’ Perspective

    19 Dec 2007 | Online Presentations | Contributor(s): Arunava Majumdar

    This presentation was one of 13 presentations in the one-day forum, "Excellence in Computer Simulation," which brought together a broad set of experts to reflect on the future of...

    http://nanohub.org/resources/3628

  20. 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 one-day forum, "Excellence in Computer Simulation," which brought together a broad set of experts to reflect on the future of...

    http://nanohub.org/resources/3633

nanoHUB.org, a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.