Gradient Methods and energy optimization

 

 

 

Overview

  • Reminder from last week and derivation of equations for the gradients of the energy
  • Gradient methods:
    1. Semi-Newton methods (Broyden's algorithm) and gradient descent
    2. Steepest descent and conjugate gradient descent
    3. Discussion of codes for VMC calculations
  1. Reading suggestions
  2. Video of lecture
  3. "Handwritten notes:"https://github.com/CompPhysics/ComputationalPhysics2/blob/gh-pages/doc/HandWrittenNotes/2025/NotesFebruary28.pdf"