Matter at Extreme Conditions: Simulation and Novel Methods
FOCUS · N20 · ID: 1067028
Presentations
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Crystal structure prediction starting from a liquid using machine-learning potentials
ORAL
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Presenters
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Aniruddha M Dive
- Lawrence Livermore National Laboratory
Authors
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Aniruddha M Dive
- Lawrence Livermore National Laboratory
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James Chapman
- Boston University, Department of Mechanical Engineering
- Lawrence Livermore National Laboratory
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Stanimir Bonev
- Lawrence Livermore National Laboratory
- Lawrence Livermore Natl Lab
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Automatic Differentiation in Dynamic Topology Optimization
ORAL
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Presenters
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Kevin Korner
- Lawrence Livermore National Laboratory
Authors
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Kevin Korner
- Lawrence Livermore National Laboratory
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Machine learning-based quantum accurate interatomic potentials for warm dense matter
ORAL
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Presenters
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Sandeep Kumar
- Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), D-02826 Görlitz, Germany
Authors
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Sandeep Kumar
- Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), D-02826 Görlitz, Germany
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Hossein Tahmasbi
- Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), D-02826 Görlitz, Germany
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Mani Lokamani
- Information Services and Computing, Helmholtz-Zentrum Dresden-Rossendorf (HZDR), 01328 Dresden, Germany
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Kushal Ramakrishna
- Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), D-02826 Görlitz, Germany
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Attila Cangi
- Helmholtz Zentrum Dresden-Rossendorf
- Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), D-02826 Görlitz, Germany
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Development of Artificial intelligence-based Interatomic Potentials High-Entropy Diborides for Modelling the Physical and Thermal Properties
ORAL
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Presenters
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Nur Aziz Octoviawan
- Physics, Astronomy and Materials Science, Missouri State University
Authors
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Nur Aziz Octoviawan
- Physics, Astronomy and Materials Science, Missouri State University
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Gregory E Hilmas
- Materials Science and Engineering, Missouri University of Science and Technology
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William G Fahrenholtz
- Missouri University of Science and Technology
- Materials Science and Engineering, Missouri University of Science and Technology
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Ridwan Sakidja
- Missouri State University
- Physics, Astronomy and Materials Science, Missouri State University
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Ab initio high pressure and temperature phase diagram of Au
ORAL
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Presenters
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Pauline Richard
- CEA, DAM, DIF
Authors
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Johann Bouchet
- CEA DES IRESNE DEC
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Pauline Richard
- CEA, DAM, DIF
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Francois Bottin
- CEA, DAM, DIF
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Grégory Geneste
- CEA, DAM, DIF
- Université Paris-Saclay, CEA
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Alois Castellano
- NanoMat/Q-Mat/CESAM and European Theoretical Spectroscopy Facility, Université de Liège Belgium
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Romuad Béjaud
- CEA, DAM, DIF
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Stable solid molecular hydrogen above 900K from a machine-learned potential trained with diffusion Quantum Monte Carlo
ORAL
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Publication: H. Niu, Y. Yang, S. Jensen, M. Holzmann, C. Pierleoni, and D. M. Ceperley, arXiv:2209.00658, (2022)
Presenters
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Scott Jensen
- University of Illinois at Urbana-Champaign
- University of Illinois Urbana-Champaign
Authors
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Scott Jensen
- University of Illinois at Urbana-Champaign
- University of Illinois Urbana-Champaign
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Hongwei Niu
- Harbin Institute of Technology
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Yubo Yang
- Center for Computational Quantum Physics, Flatiron Institute
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Markus Holzmann
- CNRS
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CARLO PIERLEONI
- Univ of L'Aquila
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David M Ceperley
- University of Illinois
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Variant Selections under Shock-induced Phase Transformation and deformation Twinning in BCC Metal Microstructures.
ORAL · Invited
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Presenters
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Avinash Dongare
- University of Connecticut
Authors
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Avinash Dongare
- University of Connecticut
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Avanish Mishra
- University of Connecticut
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Marco Echeverria
- University of Connecticut
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Ke Ma
- University of Connecticut
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Vortical flow and the modulationof jetting processes
ORAL
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Presenters
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William Schill
- Lawrence Livermore National Laboratory
Authors
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William Schill
- Lawrence Livermore National Laboratory
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Finite-temperature lattice dynamics of FeV at high pressure from first principles
ORAL
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Presenters
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Jorge A Munoz
- University of Texas at El Paso
Authors
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Jorge A Munoz
- University of Texas at El Paso
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Homero Reyes Pulido
- University of Texas at El Paso
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BIMAL K C
- University of Texas at El Paso
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Russell J Hemley
- University of Illinois at Chicago
- University of Illinois Chicago
- Departments of Physics, Chemistry, and Earth and Environmental Sciences, University of Illinois Chicago
- Department of Physics and Chemistry, University of Illinois Chicago, 845, W. Taylor Street, Chicago, IL 60607
- Departments of Physics, Chemistry, and Earth and Environmental Sciences, University of Illinois at Chicago
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Ravhi Kumar
- University of Illinois at Chicago
- University of Illinois Chicago
- Department of Physics, University of Illinois Chicago, 845, W. Taylor Street, Chicago, IL 60607
- University of Illinois, Chicago
- Department of Physics, University of Illinois at Chicago
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Superconductivity of cerium hydride at high pressure from DFT+DFPT+DMFT
ORAL
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Presenters
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Yao Wei
- University of Cambridge, King's College London
Authors
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Yao Wei
- University of Cambridge, King's College London
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Siyu Chen
- University of Cambridge
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Evgeny Plekhanov
- King's College London
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Samuel Poncé
- Université catholique de Louvain
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Bartomeu Monserrat
- University of Cambridge
- Univ of Cambridge
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Cedric Weber
- King's College London
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GPU-Accelerated Lattice Boltzmann Method for Shock Physics Computations
ORAL
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Presenters
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Peter D Yeh
- Sandia National Laboratories
Authors
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Peter D Yeh
- Sandia National Laboratories
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