Auxiliary-Field Methods for Quantum Materials - IPAM at UCLA

Auxiliary-Field Methods for Quantum Materials - IPAM at UCLA

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

Optimization with noisy gradients

13 of 15

13 of 15

Optimization with noisy gradients

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Auxiliary-Field Methods for Quantum Materials - IPAM at UCLA

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  1. 1 Auxiliary-field methods for quantum materials
  2. 2 Overview: MC in quantum physics
  3. 3 The many-electron problem
  4. 4 The challenge of accurate calculations
  5. 5 What does AFQMC do?
  6. 6 Connection with other QMC
  7. 7 Understand and control the sign problem
  8. 8 Ligand-dissociation of TM complexes ICTC
  9. 9 Electrochemistry of TM complexes
  10. 10 Computing observables & correlations
  11. 11 Computation of forces and stresses
  12. 12 Lattice optimization - AIN
  13. 13 Optimization with noisy gradients
  14. 14 An algorithm for noisy forces/stresses
  15. 15 Summary

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