Materials at Extreme Conditions: Theory and Simulations
ORAL · P01 ·
Presentations
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Predicting the melt lines of compressed materials using computations
ORAL
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Presenters
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Josiah Bjorgaard
- Computational Physics, Los Alamos Natl Lab
Authors
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Josiah Bjorgaard
- Computational Physics, Los Alamos Natl Lab
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Daniel Sheppard
- Computational Physics, Los Alamos Natl Lab
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First-principles study of the melting curve of iron
ORAL
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Presenters
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Felipe González-Cataldo
- Department of Earth and Planetary Science, Univ of California - Berkeley
Authors
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Felipe González-Cataldo
- Department of Earth and Planetary Science, Univ of California - Berkeley
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Burkhard Militzer
- Department of Earth and Planetary Science, Univ of California - Berkeley
- Univ of California - Berkeley
- University of California Berkeley
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Rotational and Translational Disorder in High-Pressure Water Ice
ORAL
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Presenters
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Jean-Alexis Hernandez
- LULI, Ecole Polytechnique
Authors
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Jean-Alexis Hernandez
- LULI, Ecole Polytechnique
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Razvan Caracas
- CNRS, Ecole Normale Superieure de Lyon
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Computationally tractable approaches to ultra-high temperature anharmonicity
ORAL
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Presenters
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Thomas Mellan
- Department of Materials, Thomas Young Centre, Imperial College
Authors
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Thomas Mellan
- Department of Materials, Thomas Young Centre, Imperial College
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Andrew Duff
- Scientific Computing Department, Hartree Centre, STFC Daresbury Laboratory
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Blazej Grabowski
- Max-Planck-Institut für Eisenforschung GmbH
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Jörg Neugebauer
- Max-Planck-Institut für Eisenforschung GmbH
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Michael Finnis
- Department of Physics and Materials, Thomas Young Centre, Imperial College London
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Examination of the High Pressure Phase Diagram of Solid Aluminum
ORAL
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Presenters
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Luke Shulenburger
- Sandia Natl Labs
- Sandia National Laboratories
- Sandia National Labs
Authors
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Luke Shulenburger
- Sandia Natl Labs
- Sandia National Laboratories
- Sandia National Labs
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Joshua Townsend
- Sandia Natl Labs
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Raymond Clay
- Sandia Natl Labs
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Pre-melting <i>hcp </i>to <i>bcc </i>Transition in Beryllium
ORAL
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Presenters
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Renata Wentzcovitch
- Department of Applied Physics and Applied Mathematics and Department of Earth and Environmental Sciences, Lamont Doherty Earth Observatory, Columbia University
- Applied Physics and Mathematics, Columbia University
- Columbia Univ
- Applied Physics and Applied Mathematics, Columbia University
- Columbia University
- Department of Applied Physics and Applied Mathematics, Department of Earth and Environmental Sciences, Lamont Doherty Earth Observatory, Columbia University
Authors
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Dong-Bo Zhang
- Condensed Matter, Beijing Computational Science Research Center
- Condensed Matter , Beijing Computational Science Research Center
- Beijing Computational Science Research Center
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Peihong Zhang
- Physics, State University of New York
- State Univ of NY - Buffalo
- State Univ of New York at Buffalo
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Renata Wentzcovitch
- Department of Applied Physics and Applied Mathematics and Department of Earth and Environmental Sciences, Lamont Doherty Earth Observatory, Columbia University
- Applied Physics and Mathematics, Columbia University
- Columbia Univ
- Applied Physics and Applied Mathematics, Columbia University
- Columbia University
- Department of Applied Physics and Applied Mathematics, Department of Earth and Environmental Sciences, Lamont Doherty Earth Observatory, Columbia University
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Thermal conductivity of MgO:Fe at high pressure and the spin transition via ab initio calculations.
ORAL
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Presenters
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Aleksandr Chernatynskiy
- Physics, Missouri S&T
Authors
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Aleksandr Chernatynskiy
- Physics, Missouri S&T
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Finding the Right Density from the Wrong Temperature with Thermal Density Functional Theory
ORAL
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Presenters
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Justin Smith
- Mathematics, University of California, Los Angeles
Authors
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Justin Smith
- Mathematics, University of California, Los Angeles
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Kieron Burke
- Physics and Chemistry, Univ of California - Irvine
- Chemistry, Univ of California - Irvine
- University of California Irvine
- Chemistry, University of California
- Chemistry, University of California, Irvine
- University of California, Irvine
- Univ of California - Irvine
- Department of Chemistry, University of California-Irvine
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Topology in the Quantum Limit
ORAL
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Presenters
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Ross McDonald
- Los Alamos National Laboratory
- National High Magnetic Field Laboratory
- Pulsed Field Facility, Los Alamos National Lab
- Los Alamos Natl Lab
- LANL/NHMFL
- NHMFL-PFF, Los Alamos National Laboratory
- National High Magnetic Field Laboratory, LANL
Authors
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Ross McDonald
- Los Alamos National Laboratory
- National High Magnetic Field Laboratory
- Pulsed Field Facility, Los Alamos National Lab
- Los Alamos Natl Lab
- LANL/NHMFL
- NHMFL-PFF, Los Alamos National Laboratory
- National High Magnetic Field Laboratory, LANL
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Strain Functionals: A Symmetry-adapted Set of Descriptors for Characterizing Atomic Geometries and Potential Energy Functions
ORAL
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Presenters
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Nithin Mathew
- Group T-1, Theoretical Division, Los Alamos National Laboratory
Authors
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Nithin Mathew
- Group T-1, Theoretical Division, Los Alamos National Laboratory
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Sven Rudin
- Group T-1, Theoretical Division, Los Alamos National Laboratory
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Edward Kober
- Los Alamos National Laboratory
- Theoretical Division, Los Alamos National Laboratory
- Group T-1, Theoretical Division, Los Alamos National Laboratory
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Simulation Effect of Twinning Evolution on Metal Strength under Dynamic Loading
ORAL
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Presenters
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Hao Pan
- Institute of Applied Physics and Computational Mathematics
Authors
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Hao Pan
- Institute of Applied Physics and Computational Mathematics
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Xiomian Hu
- Institute of Applied Physics and Computational Mathematics
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The stability and the structures of Fe-I and Fe-Br compounds under Earth core condition
ORAL
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Presenters
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Xiaoli Wang
- School of Physics and Electronic Engineering, Linyi University
Authors
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Xiaoli Wang
- School of Physics and Electronic Engineering, Linyi University
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Jianfu Li
- School of Physics and Electronic Engineering, Linyi University
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Frank Spera
- Department of Earth Science, University of California Santa Barbara
- Earth of Science, University of California Santa Barbara
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Matthew Jackson
- Department of Earth Science, University of California Santa Barbara
- Earth of Science, University of California Santa Barbara
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Maosheng Miao
- Chemistry and Biochemistry, California State University Northridge
- California State University, Northridge
- Cal State Univ - Northridge
- Chemistry and Biochemistry, California State University, Northridge
- Department of Chemistry and Biochemistry, California State University, Northridge
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Pressure-Stabilized Semiconducting Electrides in Alkaline-Earth-Metal Subnitrides
ORAL
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Presenters
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Yunwei Zhang
- College of Physics, State Key Lab of Superhard Materials, Jilin Unversity
Authors
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Yunwei Zhang
- College of Physics, State Key Lab of Superhard Materials, Jilin Unversity
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Weikang Wu
- Research Laboratory for Quantum Materials, Singapore University of Technology and Design
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Yanchao Wang
- State Key Laboratory of Superhard Materials, Jilin University
- College of Physics, State Key Lab of Superhard Materials, Jilin Unversity
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Shengyuan Yang
- Singapore University of Technology and Design
- Research Laboratory for Quantum Materials, Singapore University of Technology and Design
- Singapore U. of Tec. and Design
- Engineering Product Development Pillar, Singapore University of Technology and Design
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Yanming Ma
- State Key Laboratory of Superhard Materials, Jilin University
- Jilin University
- College of Physics, State Key Lab of Superhard Materials, Jilin Unversity
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Chemistry without Chemical Bonds: Reactivity of He with Ionic Compounds under High Pressure
ORAL
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Presenters
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Zhen Liu
- Beijing Computational Science Research Center
- Simulation of Physical Systems Division, Beijing Computational Science Research Center
Authors
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Zhen Liu
- Beijing Computational Science Research Center
- Simulation of Physical Systems Division, Beijing Computational Science Research Center
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Jorge Botana
- Beijing Computational Science Research Center
- California State University, Northridge
- Simulation of Physical Systems Division, Beijing Computational Science Research Center
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Andreas Hermann
- Centre for Science at Extreme Conditions and SUPA, School of Physics and Astronomy, The University of Edinburgh
- Univ of Edinburgh
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Steven Valdez
- Chemistry and Biochemistry, California State University, Northridge
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Eva Zurek
- Department of Chemistry, State University of New York at Buffalo
- Department of Chemistry, University of Buffalo
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Dadong Yan
- Department of Physics, Beijing Normal University
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Hai-Qing Lin
- Simulation of Physical Systems Division, Beijing Computational Science Research Center
- Beijing Computational Science Research Center
- Bejing Computational Science Research Center
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Maosheng Miao
- Chemistry and Biochemistry, California State University Northridge
- California State University, Northridge
- Cal State Univ - Northridge
- Chemistry and Biochemistry, California State University, Northridge
- Department of Chemistry and Biochemistry, California State University, Northridge
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A first-principles study of the anharmonic lattice dynamics of sodium under pressures
ORAL
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Presenters
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Shasha Li
- The University of Hong Kong
Authors
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Shasha Li
- The University of Hong Kong
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Yue Chen
- Department of Mechanical Engineering, The University of Hong Kong
- The University of Hong Kong
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