Matter at Extreme Conditions: Theory and Ab Initio Methods

Presentations

• Scaling Law for the Onset of Solidification under Quasi-Isentropic Compression

  ORAL · Invited

  March 6, 2024, 12:30 PM – March 6, 2024, 1:06 PM

  Publication: 1. "Scaling Law for the Onset of Solidification at Extreme Undercooling", Philip C. Myint, Dane M. Sterbentz, Justin L. Brown, Brian S. Stoltzfus, Jean-Pierre R. Delplanque, and Jonathan L. Belof, Phys. Rev. Lett., 131, 106101, 2023.
  2. "Kinetics of solidification in metals under rapid compression: experiments, theory, and simulations applied to gallium", Jonathan L. Belof, Justin L. Brown,Philip C. Myint, and Brian S. Stoltzfus, in preparation.

  Presenters

  • Dane M Sterbentz

    Lawrence Livermore National Laboratory

  Authors

  • Philip C Myint

    Lawrence Livermore Natl Lab

  • Dane M Sterbentz

    Lawrence Livermore National Laboratory

  • Justin L Brown

    Sandia National Laboratories

  • Brian S Stoltzfus

    Sandia National Laboratory

  • Jean-Pierre Delplanque

    University of California, Davis

  • Jonathan L Belof

    Lawrence Livermore National Laboratory

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• Predicting entropy of liquids at extreme conditions by thermodynamic integrations with machine-learning force fields

  ORAL

  March 6, 2024, 1:06 PM – March 6, 2024, 1:18 PM

  Presenters

  • Kwangnam Kim

    Lawrence Livermore National Laboratory

  Authors

  • Kwangnam Kim

    Lawrence Livermore National Laboratory

  • Stanimir A Bonev

    Lawrence Livermore Natl Lab, Lawrence Livermore National Laboratory

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• Impact of longitudinal spin fluctuations on the structure of stable iron phase under extreme conditions

  ORAL

  March 6, 2024, 1:18 PM – March 6, 2024, 1:30 PM

  Presenters

  • Anatoly B Belonoshko

    Nanjing University, Nanjing

  Authors

  • Anatoly B Belonoshko

    Nanjing University, Nanjing

  • Oleg E Peil

    Materials Center Leoben, Leoben

  • Andrei V Ruban

    Materials Center Leoben, Leoben

  • Sergei I Simak

    Linköping University, Linköping

  • Grigory S Smirnov

    HSE University, Moscow, Russia

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• Applying an Explicit Temperature-dependent Generalized Gradient Approximation to Warm Dense Matter: Thermal PBE

  ORAL

  March 6, 2024, 1:30 PM – March 6, 2024, 1:42 PM

  Publication: [1] J. Kozlowski, D. Perchak, and K. Burke, arXiv 2308.03319 (2023)
  [2] S. Groth, T. Dornheim, T. Sjostrom, F. D. Malone, W. M. C. Foulkes, and M. Bonitz, Phys. Rev. Lett. 119, 135001 (2017)
  [3] K. Ramakrishna, T. Dornheim, and J. Vorberger, Phys. Rev. B 101, 195129 (2020)

  Presenters

  • Kushal Ramakrishna

    Helmholtz Zentrum Dresden-Rossendorf

  Authors

  • Kushal Ramakrishna

    Helmholtz Zentrum Dresden-Rossendorf

  • Mani Lokamani

    Helmholtz-Zentrum Dresden-Rossendorf

  • Attila Cangi

    Helmholtz Zentrum Dresden-Rossendorf

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• Combined self-consistent DFT+U and Quantum Monte Carlo investigation of the High Pressure Spin Transition in Ferropericlase

  ORAL

  March 6, 2024, 1:42 PM – March 6, 2024, 1:54 PM

  Presenters

  • joshua P townsend

    Sandia National Laboratories

  Authors

  • joshua P townsend

    Sandia National Laboratories

  • Hannah Bausch

    Northwestern University

  • Steven D Jacobsen

    Northwestern University

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• Reproducibility and nonlinear effects in TDDFT simulations of stopping power in warm dense matter

  ORAL

  March 6, 2024, 1:54 PM – March 6, 2024, 2:06 PM

  Presenters

  • Alina Kononov

    Sandia National Laboratories

  Authors

  • Alina Kononov

    Sandia National Laboratories

  • Katarina Nichols

    Laboratory for Laser Energetics, University of Rochester

  • Suxing Hu

    Laboratory for Laser Energetics, University of Rochester

  • Alexander J White

    Los Alamos National Laboratory

  • Andrew D Baczewski

    Sandia National Laboratories

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• Electrical resistivity and thermal conductivity of Iron-Hydrogen Alloys at Earth's Core Conditions

  ORAL

  March 6, 2024, 2:06 PM – March 6, 2024, 2:18 PM

  Presenters

  • Cong Liu

    Carnegie Institution for Science

  Authors

  • Cong Liu

    Carnegie Institution for Science

  • Ronald E Cohen

    Carnegie Institution for Science, Carnegie Inst of Washington

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• Electronic phase transitions in solids under extreme compression studied by hybrid DFT, DFT+U and GW approaches

  ORAL

  March 6, 2024, 2:18 PM – March 6, 2024, 2:30 PM

  Presenters

  • Md Mehdi Masud

    University of California, Merced

  Authors

  • Md Mehdi Masud

    University of California, Merced

  • Bradford A Barker

    University of California, Merced

  • David A Strubbe

    University of California, Merced

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• Nonresonant electronic Raman scattering in nonequilibrium.

  ORAL

  March 6, 2024, 2:30 PM – March 6, 2024, 2:42 PM

  Presenters

  • Oleh Matvyeyev

    Georgetown University

  Authors

  • Oleh Matvyeyev

    Georgetown University

  • James K Freericks

    Georgetown University

  View abstract →

• Abstract Withdrawn

  ORAL Withdrawn

  March 6, 2024, 2:42 PM – March 6, 2024, 2:54 PM

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• Leveraging Machine-Learned Interatomic Models for Quantum Accurate Carbon Melt Line Prediction

  ORAL

  March 6, 2024, 2:54 PM – March 6, 2024, 3:06 PM

  Presenters

  • Yanjun Lyu

    University of Michigan

  Authors

  • Yanjun Lyu

    University of Michigan

  • Sorin Bastea

    Lawrence Livermore National Laboratory

  • Sebastien Hamel

    Lawrence Livermore Natl Lab

  • Rebecca K Lindsey

    University of Michigan, Ann Arbor

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• Validating Spin-Orbit QMC for Equation of State Calculations of Heavy Elements

  ORAL

  March 6, 2024, 3:06 PM – March 6, 2024, 3:18 PM

  Presenters

  • Raymond C Clay

    Sandia National Laboratories

  Authors

  • Raymond C Clay

    Sandia National Laboratories

  • Cody A Melton

    Sandia National Laboratories

  • joshua P townsend

    Sandia National Laboratories

  • Luke N Shulenburger

    Sandia National Laboratories

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• Diamond precipitation in warm dense titanium carbide

  ORAL

  March 6, 2024, 3:18 PM – March 6, 2024, 3:30 PM

  Presenters

  • Katerina P Hilleke

    Laboratory for Laser Energetics

  Authors

  • Katerina P Hilleke

    Laboratory for Laser Energetics

  • Valentin V Karasiev

    LLE, Univ. of Rochester

  • Suxing Hu

    Laboratory for Laser Energetics, University of Rochester

  View abstract →