Plans for week 6, February 7-11

Hi all and best wishes for the weekend. This week we discussed the basics of the Metropolis algorithm and Markov Chain Monte Carlo approaches. In the lectures next week we will discuss in more detail how we do importance sampling, in particular where does the quantum force come from!
This will lead us to some elements of transport theory and the diffusion equation (which is intimately linked with Markov Chains).  This will also lead us to the equations we need to code, based on implementations from a modified diffusion equation called the Fokker-PLanck equation and the so-called Langevin equation. 
These are elements we need to discuss next Thursday. In more details, see the weekly slides at  for example
http://compphysics.github.io/ComputationalPhysics2/doc/pub/week4/html/week4-reveal.html
we will cover

The plans for this week  are:
o First we want to give you an overarching  view on the equations we need to program in order to perform importance sampling with a simple Python code that demonstrates the essential elements.
o Secondly, we will go through the computational elements we need in order to program the local energy, the trial wave functions and the so-called _quantum force_ in the most efficient way (computationally).
o Finally, we will try to give a better connection between the equations for importance sampling and their links with the Fokker-Planck and Langevin equations. 

Else, we remind you that the weekly slides from the previous weeks contain a link to the video of the lectures, with subtitles (youtube does a decent job here) and the handwritten notes are all at 
https://github.com/CompPhysics/ComputationalPhysics2/tree/gh-pages/doc/HandWrittenNotes/2022

Feel free to come with feedback on the quality of the videos and the teaching material. 
At the lab sessions we will continue with code development. Try to develop a code for the non-interacting case first. This is the easiest part and add at a later stage the interaction.

All the best,
Morten and ?yvind
 

Published Feb. 4, 2022 5:16 PM - Last modified Feb. 4, 2022 5:16 PM