Mark your calendars! A Q-Chem User Workshop will be happening virtually on June 11, 2025, from 8AM to 11AM Pacific time. This free workshop will provide an introduction to several basic features within the Q-Chem software package, and will include several hands-on exercises using IQmol, Q-Chem's free molecule visualizer and job server. We are excited to be hosting this in collaboration with the Virtual Winter School in Computational Chemistry and OMSF!… 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

Congratulations to Q-Chem President Anna Krylov on being elected to the American Academy of Arts & Sciences!

The Academy, founded in 1780 during the American Revolution by several Founding Fathers of the United States, is an honorary society that recognizes excellence, collaboration, and good leadership across a broad variety of disciplines. Anna is recognized for her phenomenal work in theoretical and computational chemistry, including spin-flip and developments in methods for… Read More