Upcoming talk by Stefan @grimmelab.bsky.social#compchemljc.group.cam.ac.uk/ljc-events/d...
Compchem's foothold is expanding! Let's welcome my last academic home team @grimmelab.bsky.social by giving them a follow. If further #chemsky or #compchem groups are already here, please mention them in a reply to this post. Let's make a little quick-start list for us early adopters!
For insights and participation in our #software: github.com/grimme-lab For tutorials and best practice tips for @grimmelab.bsky.social methods: xtb-docs.readthedocs.io @grimmelab.bsky.social website at #unibonn: www.chemie.uni-bonn.de/grimme/de
Quantum chemistry software - Made in Bonn. Grimme lab has 49 repositories available. Follow their code on GitHub.
A worthy first post up high in the sky: DFT poll '23 is here. With many good choices including two (!) 3c methods in the competition, one of which I have worked on myself. Great to see #compchem taking a foothold here.