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CCP5 Summer School 4.0.0 documentation
Day 11 Machine Learning Interatomic Potentials
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    • Day 1-2
    • Day 3
    • Day 4
    • Day 5
    • Day 6
    • Day 8
    • Day 9-11
      • Day 9: Setup environment for advanced courses
      • Advanced: Machine Learnt Interatomic Potentials
        • Day 9-11 Machine Learning Interatomic Potentials
        • Day 9 Machine Learning Interatomic Potentials
        • Day 10 Machine Learning Interatomic Potentials
        • Day 11 Machine Learning Interatomic Potentials
          • Deep Dive into the MACE Architecture
          • Nudged Elastic Band
          • Nudge elastic bands with MLIPS for molecules
        • Day 11 Machine Learning Interatomic Potentials
          • Deep Dive into the MACE Architecture
          • Nudged Elastic Band
          • Nudge elastic bands with MLIPS for molecules
      • Advanced: First Principles
      • Advanced: Biomolecular Modelling
      • Advanced: Mesoscale Modelling
    • Appendix

    Day 11 Machine Learning Interatomic PotentialsΒΆ

    Deep Dive into the MACE Architecture
    Nudged Elastic Band
    Nudge elastic bands with MLIPS for molecules
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