Q-Chem Holiday Discount: 12% off all license purchases made directly with Q-Chem through Dec 31, 2024 Q-Chem Holiday Discount: 12% off all license purchases made directly with Q-Chem through Dec 31, 2024
Q-Chem 6.2 logo over abstract molecules and clouds

Q-Chem is an ab initio quantum chemistry software package for fast and accurate simulations of molecular systems, including electronic and molecular structure, reactivities, properties, and spectra.

Q-Chem 6.2

Q-Chem is an ab initio quantum chemistry software package for fast and accurate simulations of molecular systems, including electronic and molecular structure, reactivities, properties, and spectra.

Q-Chem's Annual Sale is Here!

"12% off" in a wreath of leaves

The holidays are almost upon us, and you know what that means: It's time for Q-Chem's annual sale! Get a 12% discount on all license orders and license upgrades placed directly with Q-Chem (not through resellers) before December 31, 2024. Don't miss out on this chance to save on a copy of our latest release! Contact us for a quote today!

Register Now: 2024 Q-Chem Developer Workshop

Text reads: "2024 Q-Chem Developer Meeting, December 16 - 19th. Join us on Zoom! www.q-chem.com/news/2024-dev"

Registration for the 2024 Q-Chem Developer Workshop is now open! The workshop will be happening virtually from December 16—19th, in half-day-long sessions. This free workshop is open to all Q-Chem developers regardless of experience, and will provide an introduction to developing in Q-Chem.

Topics will include introductory materials for beginners (proper use of debuggers, tips for troubleshooting compilation errors, and the Q-Chem development cycle… Read More

Now Available: A New Parameterization of the DFT/CIS Method with Applications to X-ray Spectroscopy

Aniket Mandal

Our latest Q-Chem webinar (Webinar 77), which was presented by Aniket Mandal on October 24, is now available! You can view the archived recording of the webinar here.

Time-dependent density functional theory (TD-DFT) within a restricted excitation space is used as an efficient and reasonably accurate means to compute core-level spectra, using only a small subset of the occupied orbitals in what is known as the core/valence separation approximation. TD-DFT… Read More

Q-Chem Developer Ka Un Lao Wins ACS COMP Outstanding Junior Faculty Award

Ka Un Lao

Congratulations to Q-Chem developer Prof. Ka Un Lao, of Virginia Commonwealth University, on being awarded the prestigious ACS COMP’s OpenEye Cadence Molecular Sciences Outstanding Junior Faculty Award! He is the first-ever recipient of all three ACS COMP awards (he also received the Excellent Graduate Student Award in 2015 and the Outstanding Postdoctoral Award in 2018).… Read More

Q-Chem's Annual Sale is Here!

"12% off" in a wreath of leaves

The holidays are almost upon us, and you know what that means: It's time for Q-Chem's annual sale! Get a 12% discount on all license orders and license upgrades placed directly with Q-Chem (not… Read More

Register Now: 2024 Q-Chem Developer Workshop

Text reads: "2024 Q-Chem Developer Meeting, December 16 - 19th. Join us on Zoom! www.q-chem.com/news/2024-dev"

Registration for the 2024 Q-Chem Developer Workshop is now open! The workshop will be happening virtually from December 16—19th, in half-day-long sessions. This… Read More

Now Available: A New Parameterization of the DFT/CIS Method with Applications to X-ray Spectroscopy

Aniket Mandal

Our latest Q-Chem webinar (Webinar 77), which was presented by Aniket Mandal on October 24, is now available! You can view the archived recording of the webinar here.Read More

Q-Chem Developer Ka Un Lao Wins ACS COMP Outstanding Junior Faculty Award

Ka Un Lao

Congratulations to Q-Chem developer Prof. Ka Un Lao, of Virginia Commonwealth University, on being awarded the prestigious ACS COMP’s OpenEye Cadence Molecular… Read More

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