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Excellence in Computer Simulation

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Contributor(s) Mark Lundstrom
Purdue University, West Lafayette

Jeffrey B. Neaton
Molecular Foundry, Lawrence Berkeley National Laboratory

Jeff Grossman
University of California, Berkeley
Abstract

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 development and manufacturing. The successes of computational science and engineering (CSE) over the past two-three decades have been substantial, but at the beginning of a new century, it is useful to reflect on what has been accomplished, on how computational science and engineering are evolving, and on how we can be even more successful in the future. A conversation along these lines has already begun. For example, Leo Kadanoff has encouraged computational experts to move beyond simply verifying experiments and play a more assertive role in leading science [1]. Greg Wilson argues that computational scientists don’t follow practices of documentation and preservation of data that experimentalists expect of themselves [2]. Douglass Post and Lawrence Votta assert that computational science needs a new paradigm [3], and Bradley Shadwick argues that computational science should not be regarded as a third branch of science at all [4]. The objective of this forum was to simply to begin a discussion along these lines within the Network for Computational Nanotechnology (NCN), as we begin to chart our long-term future. IIt was also an opportunity for NCN students to think about how to prepare themselves for careers in CSE. By posting the presentations on the nanoHUB, we also hope to spark a discussion within the broader community of computational experts and others.

Excellence in Computer Simulation brought together experts who have made strong contributions to CSE and thought deeply about the field. The one-day event consisted of individual talks followed by short discussions. Each presentation was recorded for dissemination on the nanoHUB to provide a resource for students preparing for careers in science and engineering and to simulate a broader discussion within the NCN and across the national and international research community.

Final Agenda (.pdf)

image
Sponsored by The Network for Computational Nanotechnology (NCN)
The Center of Integrated Nanomechanical Systems (COINS)
The Molecular Foundry at Lawrence Berkeley National Lab
Cite this work

If you reference this work in a publication, please cite as follows:

  • Lundstrom, Mark; Neaton, Jeffrey B.; Grossman, Jeff (2007), "Excellence in Computer Simulation", http://www.nanohub.org/resources/3617/, accessed on 2008-05-17 04:17:54.

    BibTex | EndNote

Date posted 19 Dec, 2007
Time 2007-11-06 00:00:00
Location Bancroft Hotel, University of California at Berkeley, Berkeley, CA
Type Workshops
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In This Series

  1. Opening Remarks: Excellence in Computer Simulation

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    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.

  2. The Good the Bad and the Awful: Scientific Simulation and Prediction

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    19 Dec. 2007 | Online Presentations | Contributor(s): Leo P. Kadanoff

    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 science and engineering.

  3. Computational Science: An Engineering Perspective

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    19 Dec. 2007 | Online Presentations | Contributor(s): James D. Plummer

    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 science and engineering.

  4. Computational and Nano-Sciences: Shared burdens and opportunities

    This resource has a 5.7 Ranking

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    19 Dec. 2007 | Online Presentations | Contributor(s): Norman Chonacky

    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 science and engineering.

  5. Session 1: Discussion

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    19 Dec. 2007 | Online Presentations

    Discussion led by Mark Lundstrom, Purdue University.

  6. An Experimentalists’ Perspective

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    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 computational science and engineering.

  7. Computational Modeling: Experience from my Bell Lab Days

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    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 computational science and engineering.

  8. TCAD Revisited, 2007: An Engineer’s Point of View

    This resource has a 9.0 Ranking

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    19 Dec. 2007 | Online Presentations | Contributor(s): Constantin Bulucea

    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 science and engineering.

  9. Computational Mathematics: Role, Impact, Challenges

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    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 computational science and engineering.

  10. Scaling Simulation Impact

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    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 computational science and engineering.

  11. NanoElectronic MOdeling: NEMO

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    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 science and engineering. Novel nanoelectronic devices such as quantum dots, nanowires, and ultra-scaled …

  12. Challenges and Strategies for High End Computing

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    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 computational science and engineering.

  13. Session 3: Discussion

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    20 Dec. 2007 | Online Presentations

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

  14. Can numerical “experiments” INSPIRE physical experiments?

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    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 computational science and engineering.

  15. Excellence in Computer Simulation: Computational Materials

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    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 computational science and engineering.

  16. Perspectives on Computational Quantum Chemistry

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    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 computational science and engineering.

  17. Session 4: Discussion

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    20 Dec. 2007 | Online Presentations

    Discussion led by Mark Allendorf, Sandia National Laboratory.

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