Chas McGill
Asst Prof in Chemical Engineering @VCU. Formerly postdoc @MITChemE. Machine learning and computational chemistry research.
mcgillresearchgroup.com
- Check out our new model! EquiNet lets you predict vapor-liquid-equilibrium for new binary systems. The model predicts both activity coefficients and vapor pressures for the system. You can make VLE envelope predictions with just the SMILES and temperature or pressure. #compchem
- Check out our preprint on ChemRxiv, code on Github, and released model on Zenodo. chemrxiv.org/engage/chemr...
- We’ll be at AIChE this week. Drop me a message if you want to talk about it. Also catch my student, Z Alam’s talk on the model on Thursday
- Please repost for visibility! New to blue sky and want to make connections.
- Hi Bluesky. I’m belatedly migrating over here looking for the old comp chem community from twitter.
