Join us in Pittsburgh for our next Q-Chem User Workshop, happening on July 23 from 9:00 AM—1:00 PM. Register here!

This Q-Chem User Workshop will feature talks from Q-Chem team members, as well as hands-on demonstrations and exercises. Explore new features, hear from experts, and learn useful strategies for running fast, accurate ab initio quantum chemistry… Read More

Recordings from our recent Q-Chem User Workshop (held virtually on June 11, 2025) are now available! This free workshop, hosted in collaboration with the Virtual Winter School in Computational Chemistry and OMSF, provided an introduction to several basic features within the Q-Chem software package. It included several hands-on exercises using IQmol, Q-Chem's free molecule visualizer and job server.

Thanks to all of you for making this workshop a… Read More

Q-Chem is pleased to announce the release of Q-Chem 6.3! New features include new analysis tools; new methods for open-shell species, high-accuracy calculations, and inclusion of solvent and environmental effects; a sophisticated new "robust SCF" procedure; and many other features and performance improvements. For a full list of new features and bugfixes, please review the official Q-Chem 6.3 release log here.

Users… Read More

Join us in Tokyo for our first 2025 Q-Chem User Workshop, happening on May 22 from 1:30—5:00 PM. Register here!

This Q-Chem User Workshop will feature talks from Q-Chem board members Anna Krylov and Martin Head-Gordon, as well as hands-on demonstrations and exercises. Explore new features, hear from experts, and learn practical strategies for running fast, accurate ab… Read More