Focus Session: Simulation of Matter at Extreme Conditions - Static Pressure
ORAL · P25 ·
Presentations
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A new metastable phase of silicon in the \textit{Ibam} structure
ORAL
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Authors
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Brad Malone
- Department of Physics, University of California, Berkeley, and Materials Science Division, Lawrence Berkeley National Laboratory
- University of California at Berkeley and Lawrence Berkeley National Lab
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Marvin Cohen
- Department of Physics, University of California, Berkeley, and Materials Science Division, Lawrence Berkeley National Laboratory
- University of California, Berkeley
- University of California at Berkeley and Lawrence Berkeley National Lab
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Ultra-incompressible Three Dimensional Long-range Ordered Amorphous Carbon Clusters
ORAL
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Authors
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Lin Wang
- Carnegie Institution of Washington
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Anharmonicity and bonding electrons in silicon under high pressures
ORAL
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Authors
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Guoyin Shen
- HPCAT, Carnegie Institution of Washington
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Daijo Ikuta
- HPCAT, Carnegie Institution of Washington
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Formation of superconducting platinum hydride under pressure: an ab initio approach
ORAL
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Authors
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Duck Young Kim
- Geophysical laboratory, Carnegie institution of Washington
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Ralph Scheicher
- Uppsala University, Uppsala, Sweden
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Chris Pickard
- Department of Physics and Astronomy, University College London
- University College London, London, UK
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Richard Needs
- University of Cambridge, Cambridge, UK
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Rajeev Ahuja
- Uppsala University, Uppsala, Sweden
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New ultrahigh pressure phases of H2O ice predicted using an adaptive genetic algorithm
ORAL
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Authors
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Min Ji
- Iowa State University
- Ames Laboratory, Iowa State U, Ames, Iowa 50011
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Cai-Zhuang Wang
- Iowa State University
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Koichiro Umemoto
- University of Minnesota
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Kai-Ming Ho
- Iowa State University
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Renata Wentzcovitch
- University of Minnesota
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Quantum Monte Carlo applied to Solids under Pressure
ORAL
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Authors
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Luke Shulenburger
- Sandia National Laboratories
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T.R. Mattsson
- Sandia National Laboratories
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First-principles simulations on bonding pathways of chemical transformations under hydrostatic compression
ORAL
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Authors
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Anguang Hu
- DRDC Suffield
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Fan Zhang
- DRDC Suffield
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Dielectric constant of water under deep Earth pressures and temperature conditions
ORAL
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Authors
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Ding Pan
- Department of Chemistry, University of California, Davis
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Leonardo Spanu
- Department of Chemistry, University of California, Davis
- Chemistry Department University of California Davis
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Francois Gygi
- Department of Computer Science, University of California Davis, Davis CA 95616
- Department of Applied Science and Department of Computer Science, University of California, Davis
- Department of Computer Science, University of California, Davis
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Giulia Galli
- University of California, Davis
- Department of Chemistry and Department of Physics, University of California, Davis
- Department of Chemistry, University of California, Davis; Department of Physics, University of California, Davis
- Dep. of Chemistry, UC Davis
- Department of Chemistry, University of California, Davis and Department of Physics, University of California, Davis
- UC Davis
- Department Of Chemistry, Department Of Physics, University of California, Davis
- Department of Chemistry, University of California, Davis 95616
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Hydrogen-Helium Mixtures at High Pressures
ORAL
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Authors
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Miguel A. Morales
- Lawrence Livermore National Lab
- Lawrence Livermore National Laboratory
- Lawrence Livermore National Laboratory, Livermore, California 94550, USA
- LLNL
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Sebastien Hamel
- Lawrence Livermore National Lab
- LLNL
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Kyle Caspersen
- LLNL
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Eric Schwegler
- Lawrence Livermore National Laboratory
- LLNL
- Lawrence Livermore National Laboratory, Livermore, California, 94550
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Pressure makes mercury a transition metal: a first-principles study of HgF4 solid phases
ORAL
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Authors
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Xiaoli Wang
- Beijing Computational Science Research Center
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Haiqing Lin
- Beijing Computational Science Research Center
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Yanming Ma
- State Key Lab of Superhard Materials, Jilin University
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Maosheng Miao
- Materials Research Lab, University of California Santa Barbara
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Ab-initio parametrization of a fully polarizable and dissociable force field for water
ORAL
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Authors
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C. Pinilla
- The Abdus Salam International Centre for Theoretical Physics Trieste, 34151, Italy
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A. Irani
- The Abdus Salam International Centre for Theoretical Physics Trieste, 34151, Italy
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N. Seriani
- The Abdus Salam International Centre for Theoretical Physics Trieste, 34151, Italy
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S. Scandolo
- The Abdus Salam International Centre for Theoretical Physics Trieste, 34151, Italy
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ABSTRACT WITHDRAWN
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Spin states and hyperfine interactions of iron incorporated in MgSiO$_3$ post-perovskite
ORAL
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Authors
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Yonggang Yu
- Department of Chemical Engineering and Materials Science, University of Minnesota
- University of Minnesota
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Han Hsu
- University of Minnesota
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Matteo Cococcioni
- University of Minnesota
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Renata Wentzcovitch
- University of Minnesota
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Effects of aluminum on spin-state crossover of iron in the Earth's lower mantle
ORAL
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Authors
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Renata Wentzcovitch
- University of Minnesota
- Univ of Minnesota
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Han Hsu
- University of Minnesota
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Yonggang Yu
- University of Minnesota
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Phase stability of mixtures at extreme conditions: implications for the interior structure of the Outer Planets
ORAL
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Authors
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Sebastien Hamel
- Lawrence Livermore National Lab
- LLNL
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