A library to parse CP2K basis sets and GTH pseudopotentials, which also comes with a webserver to find out and select a basis set and its matching pseudopotential for your CP2K calculations.

Repository for PseudopotentialLibrary.org website and database

Basic templates for individual user pages in the public/_www directory

Notes on tools used for programming and research

Python module for quantum chemistry

Differentiation for Hackers

Parallel Computing and Scientific Machine Learning (SciML): Methods and Applications (MIT 18.337J/6.338J)

What features does your CPU and OS support?

Renders TeXy Math for Github Readme - No longer needed with official MathTex support on GH

Libint: high-performance library for computing Gaussian integrals in quantum mechanics

A Tutorial to Julia Language for Physicists

Summer school and workshop on parallel computing funded by ECP, MolSSI and others - Summer school materials

sigma-SCF