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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