Stochastic Methods in Electronic Structure

This is a collection of materials that are used in a school on stochastic methods. Contributions from (in alphabetical order):

George Booth
Bryan Clark
Ken Jordan
Brenda Rubenstein
James Shepherd
Luke Shulenberger
Cyrus Umrigar
Lucas Wagner

The next school will be held the week of July 29 in Pittsburg. Logistical information is available here: https://molssi.org/event/school-on-stochastic-approaches-to-electronic-structure-calculations/

Packages used

python (3.6 or above recommended)
pandas - for data analysis
numpy - for fast numerical calculations
matplotlib - for plotting

Recommended reading material

General quantum chemistry

Szabo and Ostlund

Software resources

Anaconda - an easy way to install Python
Software Carpentry lessons: Git/Basic Python/Plotting in Python

Specific methods:

AFQMC: Motta review/Constrained path AFQMC
FCI-QMC: Booth
VMC and DMC: Foulkes review/Umrigar/Wagner