General Contributed: Theory and Simulations of Materials in Extreme Conditions

Presentations

• On the Possibility of Metastable Metallic Hydrogen

  ORAL

  March 15, 2017, 11:15 AM – March 15, 2017, 11:27 AM

  Authors

  • Jeffrey McMahon

    • Department of Physics and Astronomy, Washington State University

  View abstract →

• Non-Born-Oppenheimer diffusion Monte Carlo calculations of solid molecular and atomic hydrogen

  ORAL

  March 15, 2017, 11:27 AM – March 15, 2017, 11:39 AM

  Authors

  • Yubo Yang

    • University of Illinois Urbana-Champaign

  • Norm Tubman

    • University of California, Berkeley
    • University of California Berkeley

  • David Ceperley

    • University of Illinois Urbana-Champaign
    • Univ of Illinois - Urbana Champaign

  View abstract →

• Effects of pressure on the magnetic properties of FeO: A diffusion Monte Carlo study

  ORAL

  March 15, 2017, 11:39 AM – March 15, 2017, 11:51 AM

  Authors

  • Joshua Townsend

    • Sandia Natl Labs

  • Luke Shulenburger

    • Sandia Natl Labs
    • Sandia National Laboratories

  • Thomas R. Mattsson

    • Sandia Natl Labs
    • Sandia National Laboratories

  • Ken Esler

    • Stone Ridge Technology

  • Ronald Cohen

    • Carnegie Institution of Washington

  View abstract →

• High pressure superconducting phase of Sulfur and Phosphorus

  ORAL

  March 15, 2017, 11:51 AM – March 15, 2017, 12:03 PM

  Authors

  • Gianni Profeta

    • Department of Physical and Chemical Sciences, University of L'Aquila

  View abstract →

• Ab Initio Investigations of High-Pressure Melting of Dense Lithium

  ORAL

  March 15, 2017, 12:03 PM – March 15, 2017, 12:15 PM

  Authors

  • Raymond Clay

    • Sandia National Laboratory

  • Miguel Morales Silva

    • Lawrence Livermore National Laboratory
    • Lawrence Livermore National Lab

  • Stanimir Bonev

    • Lawrence Livermore National Laboratory

  View abstract →

• Extended First-principles molecular dynamics toward high temperature

  ORAL

  March 15, 2017, 12:15 PM – March 15, 2017, 12:27 PM

  Authors

  • Wei Kang

    • HEDPS, Center for Applied Physics and Technology, and College of Engineering, Peking University, Beijing 100871, China
    • Center for Applied Physics and Technology, Peking University

  • Shen Zhang

    • Center for Applied Physics and Technology, Peking University

  • Ping Zhang

    • Center for Applied Physics and Technology, Peking University

  • X. T. He

    • Center for Applied Physics and Technology, Peking University

  View abstract →

• Density-to-Potential Inversions to Guide Development of Exchange-Correlation Approximations at Finite Temperature

  ORAL

  March 15, 2017, 12:27 PM – March 15, 2017, 12:39 PM

  Authors

  • Daniel Jensen

    • Center for Computing Research, Sandia National Laboratories

  • Adam Wasserman

    • Purdue University

  • Andrew Baczewski

    • Center for Computing Research, Sandia National Laboratories

  View abstract →

• Iron spin crossover in the NAL phase and ferromagnesite

  ORAL

  March 15, 2017, 12:39 PM – March 15, 2017, 12:51 PM

  Authors

  • Han Hsu

    • National Central University

  View abstract →

• Formation of a Quasi 2D-layer of Protons in Hydroxides at High Pressure

  ORAL

  March 15, 2017, 12:51 PM – March 15, 2017, 1:03 PM

  Authors

  • Romain DUPUIS

    • Donostia International Physics Center

  • Jorge Dolado

    • Tecnalia

  • Jose Surga

    • Intevep

  • Magali Benoit

    • Cemes

  • Andres Ayuela

    • Cfm

  View abstract →

• Finite Temperature Effects of the Pressure-Driven Quantum Hall to Nematic Phase Transition in the Second Landau Level

  ORAL

  March 15, 2017, 1:03 PM – March 15, 2017, 1:15 PM

  Authors

  • Katherine Schreiber

    • Purdue University

  • Nodar Samkharadze

    • Purdue University

  • Geoffrey Gardner

    • Purdue University

  • Michael Manfra

    • Department of Physics, Birck Nanotechnology Center, Schools of Electrical and Computer Engineering and Materials Engineering, Purdue University
    • Purdue University

  • Rudro Biswas

    • Purdue University

  • G\'abor Cs\'athy

    • Purdue University

  View abstract →

• Fluid Fe${_{(1-x)}}$H${_x}$ under extreme conditions

  ORAL

  March 15, 2017, 1:15 PM – March 15, 2017, 1:27 PM

  Authors

  • Alexandra Seclaman

    • Ludwig Maximilians Univ

  • Hugh F. Wilson

    • RMIT University

  • Ronald E. Cohen

    • Extreme Materials Initiative, Geophysical Laboratory, Carnegie Institution for Science & Ludwig Maximilians Univ

  View abstract →

• Multiscale modeling of electron-ion dynamics in silicon under particle radiation

  ORAL

  March 15, 2017, 1:27 PM – March 15, 2017, 1:39 PM

  Authors

  • Andre Schleife

    • University of Illinois at Urbana-Champaign
    • Univ of Illinois - Urbana
    • University of Illinois, Urbana-Champaign

  • Cheng-Wei Lee

    • Univ of Illinois - Urbana

  • Khalid Hattar

    • Sandia National Labs

  • Remi Dingreville

    • Sandia National Labs

  • Stephen Foiles

    • Sandia National Labs

  View abstract →

• Microstructural properties of hydrogenated amorphous silicon: A first-principles study

  ORAL

  March 15, 2017, 1:39 PM – March 15, 2017, 1:51 PM

  Authors

  • Durga Paudel

    • The University of Southern Mississippi

  • Parthapratim Biswas

    • The University of Southern Mississippi
    • The University of Southern Mississippi,USA

  • Raymond Att-Fynn

    • University of Texas,Arlington,TX

  • David Drabold

    • Ohio University, Athens Ohio

  • Stephen Elliott

    • University of Cambridge,UK

  View abstract →