Computational Science

Presentations

• First Principles Search for New Superconducting Layered Borides

  COFFEE_KLATCH · Invited

  Nov. 9, 2007, 8:30 AM – Nov. 9, 2007, 9:00 AM

  Authors

  • Stefano Curtarolo

    Department of Mechanical Engineering and Materials Science, Duke University

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• Hole Transfer in Hydrated DNA Driven by Spatial Correlated Solvent Fluctuations

  COFFEE_KLATCH · Invited

  Nov. 9, 2007, 9:00 AM – Nov. 9, 2007, 9:30 AM

  Authors

  • Angelo Bongiorno

    School of Chemistry \& Biochemistry, Georgia Institute of Technology, Atlanta GA 30332-0400

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• A computational study of the role of defects and single molecules on transport properties in low dimensional systems

  COFFEE_KLATCH · Invited

  Nov. 9, 2007, 9:30 AM – Nov. 9, 2007, 10:00 AM

  Authors

  • Vincent Meunier

    ORNL

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• Simulations of Li ion diffusion in the electrolyte material -- Li$_3$PO$_4$

  COFFEE_KLATCH · Invited

  Nov. 9, 2007, 10:00 AM – Nov. 9, 2007, 10:30 AM

  Authors

  • N.A.W. Holzwarth

    Wake Forest University

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