Invited Session: How Reliable are Computed Electronic Properties?

Presentations

• Validation of Atomic, Molecular and Condensed Matter Calculations

  COFFEE_KLATCH · Invited

  Feb. 28, 2012, 11:15 AM – Feb. 28, 2012, 11:51 AM

  Authors

  • Eric Shirley

    • NIST

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• New Tools for the Verification and Validation of Electronic Structure Calculations

  COFFEE_KLATCH · Invited

  Feb. 28, 2012, 11:51 AM – Feb. 28, 2012, 12:27 PM

  Authors

  • Francois Gygi

    • Department of Computer Science, University of California Davis, Davis CA 95616
    • Department of Applied Science and Department of Computer Science, University of California, Davis
    • Department of Computer Science, University of California, Davis

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• Single-electron excitations of molecules and solids -- reliability and robustness of density-functional theory and \textit{GW} calculations

  COFFEE_KLATCH · Invited

  Feb. 28, 2012, 12:27 PM – Feb. 28, 2012, 1:03 PM

  Authors

  • Matthias Scheffler

    • Fritz-Haber-Institut der MPG, D-14195 Berlin
    • Fritz-Haber-Institut der MPG
    • Fritz Haber Institute of the Max Planck Society
    • Fritz-Haber-Institut der Max-Planck-Gesellschaft

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• Role of Validation and Predictions in Modeling: Specific Examples from Semiconductor Industry Applications

  COFFEE_KLATCH · Invited

  Feb. 28, 2012, 1:03 PM – Feb. 28, 2012, 1:39 PM

  Authors

  • Sadasivan Shankar

    • Intel Corporation Santa Clara, California, USA

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• Materials by design

  COFFEE_KLATCH · Invited

  Feb. 28, 2012, 1:39 PM – Feb. 28, 2012, 2:15 PM

  Authors

  • Gerbrand Ceder

    • Massachusetts Institute of Technology
    • Massachusetts Inst of Tech-MIT

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