Congratulations to Q-Chem developers at OSU on their recent publication, where they introduce a new heterogeneous PCM solvation model, HetPCM! They use it to predict the solvation energies and pKa values of blue copper proteins. https://t.co/YYxjyfBNKT
The ESCMQC-2024 meeting ended today. Great to have been able to gather so many brilliant, young people working across theoretical, computational, and digital chemistry in Copenhagen. I'm thankful to everyone who took time out to attend and speak/present posters at the meeting.