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.

I announce a publication I worked on in our series on Complexity Reduction. I provide a teaser for the paper results using a magic trick related to eigenvalues.

I announce a publication I worked on about studying mutations of the SARS-CoV-2 spike protein and describe some tools for studying mutations.