Atomistic Simulations via Machine Learning Potentials

Presentations

• Machine learned force fields: status and challenges

  Invited

  March 17, 2021, 9:00 AM – March 17, 2021, 9:36 AM

  Presenters

  • Gabor Csanyi

    University of Cambridge, Univ of Cambridge

  Authors

  • Gabor Csanyi

    University of Cambridge, Univ of Cambridge

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• Expanding the time- and length-scale of <i>ab initio</i> molecular dynamics with deep neural network potentials

  Invited

  March 17, 2021, 9:36 AM – March 17, 2021, 10:12 AM

  Presenters

  • Marcos Andrade

    Princeton University, Department of Chemistry, Princeton University

  Authors

  • Marcos Andrade

    Princeton University, Department of Chemistry, Princeton University

  • Linfeng Zhang

    Program in Applied and Computational Mathematics, Princeton University, Princeton University, Beijing Institute of Big Data Research, Program in Applied and Computational Mathematics, Princeton University, Princeton, NJ 08544, USA

  • Hsin-Yu Ko

    Chemistry and Chemical Biology, Cornell University, Princeton University, Department of Chemistry and Chemical Biology, Cornell University, Cornell University

  • Grace M Sommers

    Princeton University

  • Roberto Car

    Department of Chemistry, Princeton University, Princeton University, Department of Chemistry, Princeton University, Princeton, NJ 08544, USA

  • Annabella Selloni

    Princeton University

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• Machine learned exchange and correlation functionals in density functional theory: progress and applications

  Invited

  March 17, 2021, 10:12 AM – March 17, 2021, 10:48 AM

  Presenters

  • Marivi Fernandez

    State Univ of NY - Stony Brook

  Authors

  • Marivi Fernandez

    State Univ of NY - Stony Brook

  • Sebastian Dick

    State Univ of NY - Stony Brook

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• Towards Mainstream Machine Learning Force Fields

  Invited

  March 17, 2021, 10:48 AM – March 17, 2021, 11:24 AM

  Presenters

  • Alexandre Tkatchenko

    University of Luxembourg Limpertsberg, University of Luxembourg, Department of Physics and Materials Science, University of Luxembourg, Univ Luxembourg

  Authors

  • Alexandre Tkatchenko

    University of Luxembourg Limpertsberg, University of Luxembourg, Department of Physics and Materials Science, University of Luxembourg, Univ Luxembourg

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• Global Neural Network Potential for Material Simulation and Catalysis

  Invited

  March 17, 2021, 11:24 AM – March 17, 2021, 12:00 PM

  Presenters

  • Zhi-Pan Liu

    Fudan Univ

  Authors

  • Zhi-Pan Liu

    Fudan Univ

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