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Machine Learning for Atomistic Simulation IV: New Model Developments and Benchmarks

ORAL · MAR-L50 · ID: 3104643

Presentations

  • AtomGPT for Inverse Materials Design

    ORAL · Invited

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    Publication: https://pubs.acs.org/doi/full/10.1021/acs.jpclett.4c01126

    Presenters

    • Kamal Choudhary

      National Institute of Standards and Technology (NIST)

    Authors

    • Kamal Choudhary

      National Institute of Standards and Technology (NIST)

    View abstract →

  • Cross-scale covariance for material property prediction

    ORAL

    –

    Presenters

    • Ellad B Tadmor

      University of Minnesota

    Authors

    • Ellad B Tadmor

      University of Minnesota

    • Benjamin A Jasperson

      University of Illinois at Urbana-Champaign

    • Ilia Nikiforov

      University of Minnesota

    • Amit Samanta

      Lawrence Livermore Natl Lab

    • Fei Zhou

      LLNL, Lawrence Livermore National Laboratory

    • Brandon Runnels

      Iowa State University

    • Harley T Johnson

      University of Illinois Urbana-Champaign, University of Illinois

    • Vincenzo Lordi

      Lawrence Livermore National Laboratory

    • Vasily V Bulatov

      Lawrence Livermore Natl Lab

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  • Physics-informed time-reversal equivariant neural network potential for magnetic materials

    ORAL

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    Publication: [1] H. Yu, B. Liu, Y. Zhong, L. Hong, J. Ji, C. Xu, X. Gong, and H. Xiang, Physics-informed time-reversal equivariant neural network potential for magnetic materials, Phys. Rev. B 110, 104427 (2024).<br>[2] H. Yu, Y. Zhong, L. Hong, C. Xu, W. Ren, X. Gong, and H. Xiang, Spin-dependent graph neural network potential for magnetic materials, Phys. Rev. B 109, 144426 (2024).

    Presenters

    • Hongyu Yu

      Fudan Univ

    Authors

    • Hongyu Yu

      Fudan Univ

    • Hongjun Xiang

      Fudan Univ

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  • From ab-initio to scattering experiments using neuroevolution potentials

    ORAL

    –

    Publication: From ab-inito to scattering experiments, Lindgren et al, Planned

    Presenters

    • Eric Lindgren

      Department of Physics, Chalmers University of Technology, Gothenburg

    Authors

    • Eric Lindgren

      Department of Physics, Chalmers University of Technology, Gothenburg

    • Adam Jackson

      Theoretical and Computational Physics Group, ISIS Neutron and Muon Source, Science and Technology Facilities Council, UKRI

    • Zheyong Fan

      Bohai University, College of Physical Science and Technology, Bohai University, Jinzhou

    • Goran Skoro

      ISIS Neutron and Muon Source, Science and Technology Facilities Council, UKRI

    • Svemir Rudic

      ISIS Neutron and Muon Source, Science and Technology Facilities Council, UKRI

    • Christian Müller

      Department of Chemistry and Chemical Engineering, Chalmers University of Technology, Gothenburg

    • Jan Swenson

      Department of Physics, Chalmers University of Technology, Gothenburg, Sweden

    • Paul Erhart

      Department of Physics, Chalmers University of Technology, Gothenburg, Sweden

    View abstract →