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 update you on a recent paper for finite temperature calculations and my recent fun in Baltimore.
I share a paper I worked on about predicting virus mutations with Density Functional Theory and about my recent trip to Chiba.
I share a recent publication I participated in that provides some insight on the future of electronic structure packages in the exascale era.