Plans for the week of February 24-28

Dear all, we hope all is well and we look forward to see you all again this coming Friday. Here are the plans with the link to the jupyter-notebook for this week, see https://github.com/CompPhysics/ComputationalPhysics2/blob/gh-pages/doc/pub/week6/ipynb/week6.ipynb

Topics.

• Reminder from last week and derivation of equations for the gradients of the energy

• Gradient methods:

a. Semi-Newton methods (Broyden's algorithm) and gradient descent

b. Steepest descent and conjugate gradient descent

c. Discussion of codes for VMC calculations

Teaching Material, videos and written material.

• These lecture notes, see attachment

• Video on the Conjugate Gradient methods

• Recommended background literature, by Boyd and Vandenberghe. Their lecture slides are very useful (warning, these are some 300 pages). Only the part on gradient descent and steepest descent are relevant. The rest is more background material.

Best wishes,

Morten