GDCh wrote a section about our work! Solvent and system specific radii for CPCM with consistent analytic gradients. Check out the GDCh article (doi.org/10.1002/nadc...) or our work (doi.org/10.1002/jcc....)! #compchem #quantumchemistry

Big update to @jhmchem.bsky.social's preprint on "Computing solvation free energies of small molecules with first principles accuracy" now available on arXiv: arxiv.org/abs/2405.181... #compchem 🧵

For anyone who missed it: Particularly interested in @lukaswittmann.bsky.social on DRACO and the new DeltaSCF capabilities. #compchem

Are you curious about what's new in ORCA? Catch my talk on the newest solvation features—including DRACO—at the ORCA 6.1 Release Event.

The ORCA 6.1 release event is coming! here is the schedule - we will walk you through the features and you can discuss with the developers in real time. Looking forward to it! #compchem #orca #FACCTs

We’ve derived and implemented analytical SCF energy gradients for the conductor-like polarizable continuum model with non-static radii. Another fruitful collaboration with @faccts.de! 🔗 doi.org/10.1002/jcc.... Who knows what kind of models could be developed with non-static radii...