Unified Understanding of E(3)-Equivariant Interatomic Potentials - Theory and Applications

Unified Understanding of E(3)-Equivariant Interatomic Potentials - Theory and Applications

Institute for Pure & Applied Mathematics (IPAM) via YouTube Direct link

Outlook

24 of 24

24 of 24

Outlook

Class Central Classrooms beta

YouTube videos curated by Class Central.

Classroom Contents

Unified Understanding of E(3)-Equivariant Interatomic Potentials - Theory and Applications

Automatically move to the next video in the Classroom when playback concludes

  1. 1 Interatomic potentials (force fields)
  2. 2 Symmetries in Interatomic Potentials
  3. 3 Machine Learning Interatomic Potentials
  4. 4 A Unified Understanding of ML Potentials
  5. 5 Message Passing Neural Networks
  6. 6 Body ordered messages
  7. 7 Generalized Atomic Cluster Expansion (ACE)
  8. 8 Multi-ACE: A Framework of Many-Body Equivariant MPNNS
  9. 9 MPNNS - ACE identification
  10. 10 Classifying models in the Multi-ACE framework
  11. 11 MPNNs as a sparsification of local models
  12. 12 Understanding Nequl in the unified design space
  13. 13 BOTNet : A body ordered Equivariant MPNN
  14. 14 Influence of non-linearities
  15. 15 Data Normalization
  16. 16 ML Interatomic Potentials limitations
  17. 17 Solving MPNNs limitations with many body messages
  18. 18 Required number of message passing
  19. 19 Higher order messages change the learning law
  20. 20 High accuracy on benchmarks
  21. 21 Data Efficiency
  22. 22 Extrapolation and speed
  23. 23 Acetyl-acetone: H transfer
  24. 24 Outlook

Never Stop Learning.

Get personalized course recommendations, track subjects and courses with reminders, and more.

Someone learning on their laptop while sitting on the floor.