Building the Bridge to Exascale: Applications and Opportunities for Materials, Chemistry, and Biology II

FOCUS · B22

Presentations

  • Towards catalysis modeling with QMC

    ORAL

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    Presenters

    • Viraaj Jayaram

      University of Chicago

    Authors

    • Viraaj Jayaram

      University of Chicago

    • Ryan Pederson

      Argonne National Lab, Department of Physics, Virginia Tech

    • Liang Li

      Argonne National Laboratory, Argonne National Lab, Center for Nanoscale Materials, Argonne National Laboratory

    • Anouar Benali

      Argonne Leadership Computing Facility, Argonne National Laboratory, Argonne National Lab

    • Ye Luo

      Argonne National Laboratory, Argonne National Lab

    • Maria Chan

      Argonne National Lab, Argonne National Laboratory, Center for Nanoscale Materials, Argonne National Laboratory

    View abstract →

  • Structure and magnetism in bulk and uniaxially strained LaCoO<sub>3-x </sub>through ab-initio diffusion quantum Monte Carlo

    ORAL

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    Presenters

    • Kayahan Saritas

      Materials Science and Technology Division, Oak Ridge National Laboratory

    Authors

    • Kayahan Saritas

      Materials Science and Technology Division, Oak Ridge National Laboratory

    • Jaron Krogel

      Oak Ridge National Laboratory, Materials Science and Technology Division, Oak Ridge National Laboratory

    • Ho Nyung Lee

      Materials Science and Technology Division, Oak Ridge National Laboratory, Materials Sciences and Technology Division, Oak Ridge National Laboratory, Oak Ridge National Laboratory

    • Fernando Reboredo

      Oak Ridge National Laboratory, Materials Science and Technology Division, Oak Ridge National Laboratory

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  • Accelerating Large-Scale GW Calculations on Many-Core and Hybrid CPU+GPU HPC Systems

    ORAL

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    Presenters

    • Mauro Del Ben

      Lawrence Berkeley National Laboratory

    Authors

    • Mauro Del Ben

      Lawrence Berkeley National Laboratory

    • Felipe Da Jornada

      Department of Physics, University of California, Berkeley, Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Physics, University of California at Berkeley, Lawrence Berkeley National Laboratory, University of California at Berkeley and Lawrence Berkeley National Laboratory, Physics, University of California, Berkeley, UC Berkeley and Lawrence Berkeley National Lab, Lawrence Berkeley National Lab, Lawrence Berkeley National Lab and University of California, Berkeley

    • Andrew Canning

      Lawrence Berkeley National Laboratory

    • Steven G. Louie

      Physics, UC Berkeley, University of California, Berkeley, Department of Physics, University of California, Berkeley, Physics Department, UC Berkeley and Lawrence Berkeley National Lab, Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Physics, University of California at Berkeley, University of California at Berkeley and Lawrence Berkeley National Lab, University of California at Berkeley and Lawrence Berkeley National Laboratory, Physics, University of California, Berkeley, UC Berkeley and Lawrence Berkeley National Lab, Physics, University of California - Berkeley, Physics and Materials Sciences, University of California at Berkeley and Lawrence Berkeley National Laboratory, Lawrence Berkeley National Lab and University of California, Berkeley, University of California - Berkeley, Lawrence Berkeley National Laboratory

    • Jack Deslippe

      National Energy Research Scientific Computing Center (NERSC), Lawrence Berkeley National Laboratory

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  • Large scale GW and BSE calculations using interoperable software building blocks

    ORAL

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    Presenters

    • Marco Govoni

      Materials Science Division, Argonne National Laboratory, Institute for Molecular Engineering and Materials Science Division, Argonne National Laboratory, Materials Science Division and Institute for Molecular Engineering, Argonne National laboratory

    Authors

    • Marco Govoni

      Materials Science Division, Argonne National Laboratory, Institute for Molecular Engineering and Materials Science Division, Argonne National Laboratory, Materials Science Division and Institute for Molecular Engineering, Argonne National laboratory

    • He Ma

      Institute for Molecular Engineering and Department of Chemistry, University of Chicago, Chemistry, University of Chicago, University of Chicago

    • Ngoc Linh Nguyen

      THEOS, Ecole Polytechnique Federale de Lausanne, University of Chicago

    • Francois Gygi

      University of California, Davis, Computer Science, University of California Davis

    • Giulia Galli

      Institute for Molecular Engineering, University of Chicago, Institute for Molecular Engineering and Materials Science Division, University of Chicago and Argonne National Laboratory, University of Chicago, Argonne National Lab, Institute for Molecular Engineering and Department of Chemistry, University of Chicago, University of Chicago and Argonne National Laboratory, The Institute for Molecular Engineering, University of Chicago, University of Chicago, Institute for Molecular Engineering, Univ. of Chicago; Department of Chemistry, Univ. of Chicago; Materials Science Division, Argonne National Laboratory

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  • Decoding Inverse Imaging Problems in Materials with Distributed Deep Learning

    ORAL

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    Presenters

    • Nouamane Laanait

      Oak Ridge National Laboratory

    Authors

    • Nouamane Laanait

      Oak Ridge National Laboratory

    • Albina Y Borisevich

      Center for Nanophase Materials Sciences, Oak Ridge National Lab, Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge National Laboratory

    • Alexander Sergeev

      Uber Technologies, Inc.

    • Sean Treichler

      NVIDIA Corporation

    • Michael A. Matheson

      Oak Ridge National Laboratory

    View abstract →

  • Convolutional neural network based super resolution for brain cell mapping

    ORAL

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    Presenters

    • Prabhat KC

      X-ray Science Division, Argonne National Laboratory

    Authors

    • Prabhat KC

      X-ray Science Division, Argonne National Laboratory

    • Vincent De Andrade

      X-ray Science Division, Argonne National Laboratory

    • Narayanan Kasthuri

      Department of Neurobiology, The University of Chicago

    • Jussi-Petteri Suuronen

      European Synchrotron Radiation Facility

    View abstract →

  • UV/vis absorption spectra database auto-generated for optical applications via the Argonne data science program

    ORAL

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    Presenters

    • Ganesh Sivaraman

      Argonne Leadership Computing Facility, Argonne National Laboratory

    Authors

    • Edward J. Beard

      Cavendish Laboratory, Department of Physics, University of Cambridge

    • Ganesh Sivaraman

      Argonne Leadership Computing Facility, Argonne National Laboratory

    • Alvaro Vazquez-Mayagoitia

      Argonne National Lab, Argonne Leadership Computing Facility, Argonne National Laboratory, Argonne National Labs

    • Venkatram Vishwanath

      Argonne Leadership Computing Facility, Argonne National Laboratory

    • Jacqueline M Cole

      Cavendish Laboratory, Department of Physics, University of Cambridge

    View abstract →