Physical Symmetry-Aware Machine Learning of Interatomic Interactions and Properties of Materials

Presentations

• Atomic cluster expansion as a platform for constructing atomic scale models

  ORAL · Invited

  March 16, 2022, 3:00 PM – March 16, 2022, 3:36 PM

  Presenters

  • Ralf Drautz

    • ICAMS
    • University of Bochum
    • Ruhr-Universität Bochum

  Authors

  • Ralf Drautz

    • ICAMS
    • University of Bochum
    • Ruhr-Universität Bochum

  View abstract →

• TBA

  ORAL · Invited

  March 16, 2022, 3:36 PM – March 16, 2022, 4:12 PM

  Presenters

  • Alexander Shapeev

    • Skolkovo Institute of Science and Technology

  Authors

  • Alexander Shapeev

    • Skolkovo Institute of Science and Technology

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• Equivariant Interatomic Potentials

  ORAL · Invited

  March 16, 2022, 4:12 PM – March 16, 2022, 4:48 PM

  Publication: https://arxiv.org/abs/2101.03164

  Presenters

  • Simon L Batzner

    • Harvard University

  Authors

  • Simon L Batzner

    • Harvard University

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• Atomic Cluster Expansion Force Fields for Molecules

  ORAL · Invited

  March 16, 2022, 4:48 PM – March 16, 2022, 5:24 PM

  Publication: https://doi.org/10.1021/acs.jctc.1c00647

  Presenters

  • David P Kovacs

    • University of Cambridge

  Authors

  • David P Kovacs

    • University of Cambridge

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• Designing molecular models by machine learning and experimental data

  ORAL · Invited

  March 16, 2022, 5:24 PM – March 16, 2022, 6:00 PM

  Presenters

  • Cecilia Clementi

    • Free University of Berlin

  Authors

  • Cecilia Clementi

    • Free University of Berlin

  View abstract →