First-Principles and MD VI: Chemical Reactivity

Presentations

• Elucidation of high sensitivity of $\delta $-HMX: New insight from the first principle simulations

  ORAL

  June 18, 2015, 2:15 PM – June 18, 2015, 2:30 PM

  Authors

  • Maija Kuklja

    National Science Foundation

  • Onise Sharia

    University of Maryland

  • Roman Tsyshevsky

    University of Maryland

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• \textit{Ab initio} calculations of nitramine dimers

  ORAL

  June 18, 2015, 2:30 PM – June 18, 2015, 2:45 PM

  Authors

  • Sharon Koh-Fallet

    ASEE Postdoctoral Fellow, U.S. Naval Research Laboratory

  • Igor Schweigert

    Code 6189, Theoretical Chemistry Section, U.S. Naval Research Laboratory, Theoretical Chemistry Section, US Naval Research Laboratory, U.S. Naval Research Laboratory, U.S. Naval Rsch Lab - Washingon DC

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• Detonation initiation in solid explosive: MD simulation using AB interatomic potential

  ORAL

  June 18, 2015, 2:45 PM – June 18, 2015, 3:00 PM

  Authors

  • Semen Murzov

    Moscow Institute of Physics and Technology, Russia

  • Vasily Zhakhovsky

    All-Russia Research Institute of Automatics

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• Mirrored continuum and molecular scale simulations of the ignition of gamma phase RDX

  POSTER

  June 18, 2015, 3:00 PM – June 18, 2015, 3:15 PM

  Authors

  • D. Scott Stewart

    University of Illinois, Urbana, IL

  • Santanu Chaudhuri

    University of Illinois, Urbana, IL, University of Illinois at Urbana-Champaign

  • Kaushik Joshi

    University of Illinois, Urbana, IL

  • Kibaek Lee

    University of Illinois, Urbana, IL

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