I announce a paper about using XTB for studying reactions, and discuss MCP servers in chemistry.

I announce an article about using low precision tensor cores for quantum chemistry calculations.

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

I announce a new roadmap article that I helped write is now published in Electronic Structure.

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