Machine Learning Material and Experimental Data

Presentations

• Machine learning interatomic potentials with and without (much) human labor

  Invited

  March 6, 2019, 8:00 AM – March 6, 2019, 8:36 AM

  Presenters

  • Noam Bernstein

    • Center for Computational Materials Science, US Naval Research Laboratory, Washington, DC 20375, USA
    • United States Naval Research Laboratory
    • Naval Research Laboratory

  Authors

  • Noam Bernstein

    • Center for Computational Materials Science, US Naval Research Laboratory, Washington, DC 20375, USA
    • United States Naval Research Laboratory
    • Naval Research Laboratory

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• Machine Learning for Ultrafast Electron Diffraction

  Invited

  March 6, 2019, 8:36 AM – March 6, 2019, 9:12 AM

  Presenters

  • Aravind Krishnamoorthy

    • University of Southern California
    • Physics & Astronomy, University of Southern California

  Authors

  • Aravind Krishnamoorthy

    • University of Southern California
    • Physics & Astronomy, University of Southern California

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• Prediction of Molecular Properties Using Graph Kernel and Active Learning

  ORAL

  March 6, 2019, 9:12 AM – March 6, 2019, 9:24 AM

  Presenters

  • Yu-Hang Tang

    • Lawrence Berkeley National Laboratory

  Authors

  • Yu-Hang Tang

    • Lawrence Berkeley National Laboratory

  • Wibe A De Jong

    • Lawrence Berkeley National Laboratory
    • Computational Research Division, Lawrence Berkeley National Laboratory

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• Tree Tensor Networks for Generative Modeling

  ORAL

  March 6, 2019, 9:24 AM – March 6, 2019, 9:36 AM

  Presenters

  • Song Cheng

    • Institute of Physics

  Authors

  • Song Cheng

    • Institute of Physics

  • Tao Xiang

    • Chinese Academy of Sciences (CAS), China
    • Institute of Physics
    • Institute of Physics, Chinese Academy of Sciences
    • Institute of Physics, CAS
    • Institute of Physics, Chinese Academy of Sciences, P.O. Box 603, Beijing 100190, China

  • Lei Wang

    • Institute of Physics
    • Institute of Physics, Chinese Academy of Sciences
    • Institute of Physics Chinese Academy of Sciences

  • pan zhang

    • institute of theoretical physics
    • Institute of Theoretical Physics, Chinese Academy of Sciences

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• Learning from the Density to Correct Total Energy and Forces in First Principle Simulations

  ORAL

  March 6, 2019, 9:36 AM – March 6, 2019, 9:48 AM

  Presenters

  • Sebastian Dick

    • Stony Brook University

  Authors

  • Sebastian Dick

    • Stony Brook University

  • Marivi Fernandez Serra

    • Stony Brook University
    • Department of Physics and Astronomy, Institute for Advance Computational Science, Stony Brook University
    • Department of Physics and Astronomy, and Institute for Advanced Computational Science, Stony Brook University
    • Department of Physics and Astronomy, Stony Brook Univerysity, U.S.A.

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• Microscopic Particle Localization Under Low-Light Conditions

  ORAL

  March 6, 2019, 9:48 AM – March 6, 2019, 10:00 AM

  Presenters

  • Shao Ran Huang

    • Brown University

  Authors

  • Shao Ran Huang

    • Brown University

  • Rashid Zia

    • Brown University

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• Computational screening of experimental structural repositories for novel Li-ion conductors

  ORAL

  March 6, 2019, 10:00 AM – March 6, 2019, 10:12 AM

  Presenters

  • Leonid Kahle

    • Theory and Simulation of Materials, École Polytechnique Fédérale de Lausanne, Switzerland

  Authors

  • Leonid Kahle

    • Theory and Simulation of Materials, École Polytechnique Fédérale de Lausanne, Switzerland

  • Aris Marcolongo

    • Cognitive Computing and Computational Sciences Department, IBM Research 8803 Zürich, Switzerland

  • Nicola Marzari

    • Materials Science & Engineering, École polytechnique fédérale de Lausanne
    • Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne,
    • Ecole polytechnique federale de Lausanne
    • EPFL STI IMX THEOS, Ecole polytechnique federale de Lausanne
    • Theory and Simulation of Materials (THEOS), École Polytechnique Fédérale de Lausanne
    • THEOS, Ecole Polytechnique Federale de Lausanne
    • Theory and Simulation of Materials, École Polytechnique Fédérale de Lausanne, Switzerland

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• Insights on materials space

  ORAL

  March 6, 2019, 10:12 AM – March 6, 2019, 10:24 AM

  Presenters

  • Chandramouli Nyshadham

    • Brigham Young University

  Authors

  • Chandramouli Nyshadham

    • Brigham Young University

  • Kennedy lincoln

    • Brigham Young University

  • Gus Hart

    • Brigham Young University
    • Physics and Astronomy, Brigham Young University

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• Quantum Criticality and Possible Superconductivity in Z_n Anisotropic Quantum Rotor Model Coupled with Free Fermion

  ORAL

  March 6, 2019, 10:24 AM – March 6, 2019, 10:36 AM

  Presenters

  • Jianqiao Liu

    • School of Physics, Peking University

  Authors

  • Jianqiao Liu

    • School of Physics, Peking University

  • Ryuichi Shindou

    • School of Physics, Peking University
    • Peking University

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• OMDB-GAP1: A new dataset for band gap predictions for large organic crystal structures

  ORAL

  March 6, 2019, 10:36 AM – March 6, 2019, 10:48 AM

  Presenters

  • Bart Olsthoorn

    • NORDITA

  Authors

  • Bart Olsthoorn

    • NORDITA

  • Richard Geilhufe

    • NORDITA, Nordic Institute for Theoretical Physics, Stockholm University and KTH, Stockholm, Sweden
    • Nordic Institute for Theoretical Physics, Stockholm University, KTH Royal Institute of Technology
    • NORDITA
    • Nordic Institute for Theoretical Physics, KTH Royal Institute of Technology, Stockholm University
    • Nordic Institute for Theoretical Physics

  • Stanislav Borysov

    • Technical University of Denmark, DTU

  • Alexander Balatsky

    • Nordita
    • Los Alamos National Laboratory
    • Nordic Institute for Theoretical Physics, Stockholm
    • Institute for Materials Science, Los Alamos National Laboratory
    • NORDITA
    • Nordic Institute for Theoretical Physics
    • Los Alamos National Laboratory, Institute for Materials Science
    • Institute for Material Science, Los Alamos National Laboratory
    • Department of Physics, University of Connecticut, Storrs, CT 06269, USA

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• Theory of band gaps in nano-porous SiC

  ORAL

  March 6, 2019, 10:48 AM – March 6, 2019, 11:00 AM

  Presenters

  • Blair Tuttle

    • Penn State Erie

  Authors

  • Blair Tuttle

    • Penn State Erie

  • Colton Barger

    • Penn State Erie

  • Andrew O'Hara

    • Physics, Vanderbilt University
    • Department of Physics and Astronomy, Vanderbilt University

  • Sokrates T Pantelides

    • Department of Physics and Astronomy, Vanderbilt University
    • Vanderbilt University
    • physics, Vanderbilt University
    • Physics, Vanderbilt University
    • Department of Physics and Astronomy and Department of Electrical Engineering and Computer Science, Vanderbilt University
    • Dept. of Physics and Astronomy, Vanderbilt University, USA

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