I share a paper I worked on about predicting virus mutations with Density Functional Theory.
I share a recent publication I participated in that provides some insight on the future of electronic structure packages in the exascale era.
As a break from the usual research, here are some good things I recommend to eat in Japan.
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 about applying our complexity reduction framework to the study of α-ketoamide inhibitors of SARS-CoV-2. I also do some travel blogging about Tromsø, Norway.