TM First Principles Methods I

Presentations

• ABSTRACT WITHDRAWN

  Invited

  July 8, 2013, 9:15 AM – July 8, 2013, 9:45 AM

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• Predicting Variable Stoichiometric Compounds under High Pressure

  ORAL

  July 8, 2013, 9:45 AM – July 8, 2013, 10:00 AM

  Authors

  • Qiang Zhu

    • SUNY-Stony Brook

  • Artem Oganov

    • SUNY-Stony Brook

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• Tuning dimensionality in binary Li-B compounds and evaluating thermodynamic vs kinetic stability under pressure

  ORAL

  July 8, 2013, 10:00 AM – July 8, 2013, 10:15 AM

  Authors

  • Andreas Hermann

    • Cornell University

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• Monitoring bonding reconstruction across the $\alpha$-cristobalite $\rightarrow$ stishovite phase transition in silica

  ORAL

  July 8, 2013, 10:15 AM – July 8, 2013, 10:30 AM

  Authors

  • \'Angel Morales Garc\'Ia

    • Departamento de Qu\'imica-F\'isica I, Universidad Complutense de Madrid, Madrid, Spain

  • Miguel A. Salvad\'o

    • Departamento de Qu\'imica F\'isica y Anal\'itica, Universidad Oviedo, Oviedo, Spain

  • Pilar Pertierra

    • Departamento de Qu\'imica F\'isica y Anal\'itica, Universidad Oviedo, Oviedo, Spain

  • J.M. Men\'endez

    • Departamento de Qu\'imica F\'isica y Anal\'itica, Universidad Oviedo, Oviedo, Spain

  • J.M. Recio

    • Departamento de Qu\'imica F\'isica y Anal\'itica, Universidad Oviedo, Oviedo, Spain

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• Stability of Solid Oxygen at High Pressure

  ORAL

  July 8, 2013, 10:30 AM – July 8, 2013, 10:45 AM

  Authors

  • Sabri Elatresh

    • Department of Physics, Dalhousie University, Halifax, NS, B3H 3J5, Canada

  • Stanimir Bonev

    • Department of Physics, Dalhousie University, Halifax, NS, B3H 3J5, Canada

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