Fast, Accurate, Robust Quantum Chemistry
Q-Chem enables quick, accurate predictions of structure, reactivities, properties, spectra, and more for molecules and materials.
Fast, Robust Chemistry Simulations
Q-Chem enables quick, accurate predictions of structure, reactivities, properties, spectra, and more for molecules and materials.
Recent Publication Highlights
Q-Chem 7 is here! Read about the latest features, including new DFT functionals, numerical sparsity speedups, faster NMR, MRSF-TDDF, and more: https://t.co/eD8aArkboF
— Q-Chem (@QChemSoftware) July 7, 2026
Request a free, month-long demo of Q-Chem and QC-PBC, free of charge: https://t.co/qkB9eRD0wW#compchem pic.twitter.com/4lbq52PdzG
One of the things we're most excited about in Q-Chem 7 is QC-PBC: A new module that uses a GTO basis for modeling periodic systems. Highlights include fast hybrid DFT; CC and MP2; analytic derivatives; excited states; solvation; and EDA.
— Q-Chem (@QChemSoftware) June 22, 2026
Pre-order today: https://t.co/DavuMzy9eX pic.twitter.com/FXe6r1IUTK
Q-Chem developers published a new numerical sparsity approach to local correlation for MP2; it scales competitively with (sometimes better than!) DLPNO-MP2 and will be extended to double-hybrid #DFT in QC7, providing speedup and better accuracy. https://t.co/uuBxv1MehV pic.twitter.com/mP4SfO2fUZ
— Q-Chem (@QChemSoftware) April 10, 2026
Q-Chem 7 Webinar | |
| Join us on July 28, 2026 for a webinar on our latest Q-Chem 7 release, to be presented by Prof. Martin Head-Gordon. Register here! This webinar will cover the breadth of new features available in … Read More |
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… Read More |
Q-Chem Newsletter: May 20, 2026 | |
| Q-Chem News & EventsWebinar Recording Now Available: OO-DFT Improvements The recording of our latest webinar from Juan E. Arias Martinez on his recent work creating a new OO-DFT interface in Q-Chem is now available. Watch it here! ⧉ The new driver offers an easy-to-use, streamlined interface, and includes many crucial analysis tools, and he discusses applications of his new… Read More |
Webinar 87: Improvements in the OO-DFT User Interface | |
| Did you miss our latest webinar from Juan E. Arias Martinez on the new OO-DFT interface in Q-Chem? Not to worry; you can now view it here! The new driver offers an easy-to-use, streamlined interface, and includes many crucial analysis tools. He will also discuss how he has used this new interface to study organic donor-acceptor charge-transfer excitations. |
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… Read More |
Q-Chem Newsletter: May 20, 2026 |
|
Q-Chem News & EventsWebinar Recording Now Available: OO-DFT Improvements The recording of our latest webinar from Juan E. Arias Martinez on his recent work… Read More |
Webinar 87: Improvements in the OO-DFT User Interface |
|
Did you miss our latest webinar from Juan E. Arias Martinez on the new OO-DFT interface in Q-Chem? Not to worry; you can now view it here! The new driver… Read More |
