I share a paper we wrote about data quality in computational chemistry calculations, and spend some time hacking Libxc.

I share a technical note we wrote about some python libraries we've written for electronic structure calculations.

I share a new paper I helped write that is about low cost quantum mechanical methods for computing protein-ligand binding.

I share a recent publication I participated in that provides some insight on the future of electronic structure packages in the exascale era.

Mac OSX comes with the Accelerate framework that contains BLAS, which is useful for us computational scientists. But there are some pitfalls to using it, which I discuss here with the help of f2py.