TM First Principles Methods III

Presentations

• Merging Kohn-Sham and Orbital-Free DFT Calculations to Extend the LiH Hugoniot to Very High Pressures

  COFFEE_KLATCH · Invited

  July 9, 2013, 9:15 AM – July 9, 2013, 9:45 AM

  Authors

  • Joel Kress

    • Los Alamos National Laboratory

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• First-principles entropy calculations for liquid metals and warm dense matter

  ORAL

  July 9, 2013, 9:45 AM – July 9, 2013, 10:00 AM

  Authors

  • Michael Desjarlias

    • Sandia National Laboratories
    • Sandia National Laboratories*, Albuquerque, New Mexico

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• Density Functional Theory Investigation of Sodium Azide at High Pressure

  ORAL

  July 9, 2013, 10:00 AM – July 9, 2013, 10:15 AM

  Authors

  • Brad Steele

    • University of South Florida

  • Aaron Landerville

    • University of South Florida

  • Ivan Oleynik

    • University of South Florida

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• ABSTRACT WITHDRAWN

  July 9, 2013, 10:15 AM – July 9, 2013, 10:30 AM

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• Finite temperature orbital-free density functional theory MD for warm dense matter systems

  ORAL

  July 9, 2013, 10:30 AM – July 9, 2013, 10:45 AM

  Authors

  • Travis Sjostrom

    • Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA

  • Jerome Daligault

    • Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA

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