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champ

The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations of atomic and molecular systems.

cpmcpy

This is a python AFQMC base on CPMC-Lab a matlab code for the Hubbard Model capable of periodic and twisted boundary conditions

crashqmc

Curso Intensivo de Monte Carlo Para la Universidad Industrial de Santander Marzo 2019

example-gpytorch-bic

Simple example using BIC modifying gpytorch basic tutorial

ipie

ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.

lhc_database

This is a public repository with the database for the Hydrogen linear chains with homogenous stretching for the paper "Gaussian Processes for Finite Size Extrapolation of Many-Body Simualtions", the data base contains the total energy in Ha and the bond lengths in Bohr, in the base STO-6G and using open boundary conditions for CCSD(T) performed with Pyscf and AFQMC performed with QMCPACK

miniafqmc

A simplified auxiliary field QMC code for algorithm development, performance portability testing, and computer science experiments

numerical-linear-algebra

Free online textbook of Jupyter notebooks for fast.ai Computational Linear Algebra course

numpy-ml

Machine learning, in numpy

qmckl

Quantum Monte Carlo Kernel Library

qmckl_gpu

Test repository for a dedicated QMCkl GPU library

qmckl_minicode

qmcpack

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

the-art-of-linear-algebra

Graphic notes on Gilbert Strang's "Linear Algebra for Everyone"

trexio_tools

Set of tools for trexio files

tuthpc

Tutorial on "Efficient Python for High-Performance Computing"