Q-Chem 7 Now Available!

We are pleased to present our next major generational release, Q-Chem 7! It includes all of the performance and usability features you've come to expect from Q-Chem, along with a plethora of new features, including the COACH functional; linear-scaling MP2 and double-hybrid DFT; MPI-enabled NMR features; MRSF-TDDFT energies and properties; and much more!

We are also excited to introduce QC-PBC, a new module for GTO-based ab initio materials modeling, available now! We will also release M-Chem, a module for molecular dynamics and biological systems modeling, later this month.

You can review a list of highlighted features in Q-Chem 7 here, for a comprehensive list of new features, improvements, and bugfixes, you can view the official release log here.

Users with a current QMP subscription, or who purchased a version of Q-Chem 6.4 with a free upgrade to 7, may install Q-Chem 7.0 free of charge using the instructions here. Otherwise, you can request a no-obligation quote here.

Would some of the new features be helpful in one of your research projects? Why not give it a test run? Take advantage of our free one-month, fully-featured trial license: Request a demo today!