Spring QMP Sale -- Order Now to Beat the Price Increase

March 21, 2022
QC6.0 square image

Purchase Q-Chem 5.4 today, and get Q-Chem 6.0 at our current prices:   Our current promotion allows customers to Purchase Q-Chem 5.4 and get free QMP for three months to include the upgrade to Version 6.0. Purchase a license now with QMP, and get the upgrade to Version 6.0 plus the upgrade to Version 6.1!

Q-Chem President is Awarded the 2022 Associates Award for Creativity in Research and Scholarship

February 9, 2022
Prof. Anna Krylov

Congratulations to Q-Chem President Anna Krylov on receiving the 2022 Associates Award for Creativity in Research and Scholarship from University of Southern California.  Anna has been chosen to receive this award which is the highest honor the University of Southern California faculty awards to its own members for their intellectual achievements.

Congratulations, Anna!

Webinar 60: Orbital Optimized Density Functional Theory for Electronic Excited States

January 27, 2022
Webinar 60 Representative Image

Did you miss Q-Chem's latest webinar, "Orbital Optimized Density Functional Theory for Electronic Excited States," presented by Diptarka Hait of University of California at Berkeley? You can now check out the presentation by clicking here.

Q-Chem 5.4.2 Has Been Released!

December 20, 2021
Q-Chem 5.4 logo over a cube-shaped lattice structure

Q-Chem is pleased to announce the release of Q-Chem 5.4.2! This provides many improvements to our most recent release, including some new features. A comprehensive list of improvements, resolved issues, and updates can be found in the Q-Chem 5.4 release log.

Any of our customers who have purchased Q-Chem 5.4 can upgrade to 5.4.2 for free. Upgrade your copy of Q-Chem here!

If you do not have license for Q-Chem 5.4,… Read More

Announcing the Q-Chem December Holiday Sales Promotion

December 1, 2021
Dec Sale Q-Chem Banner-Square

Happy Holidays!  During our December holiday sales event, a 10% discount will be applied to all license orders and license upgrades placed by customers directly with Q-Chem before the end of December 2021.  (Please note:  This sale does not apply to reseller sales.)

Webinar 59: Restricted Active Space CI family of methods in Q-Chem

November 24, 2021
[Webinar 59 representative image]

Did you miss our latest webinar, "Restricted Active Space CI family of methods in Q-Chem," presented by Dr. David Casanova of Donostia International Physics Center (DICP) on November 24th?  The video of this presentation has now been uploaded to our website.  Check it out here.

Call for Nominations: 2022 Nick Besley Award

November 1, 2021
Prof. Nick Besley

We are now accepting nomination submissions for the 2022 Nick Besley Award. This award recognizes excellence in the development or application of new methods for computational spectroscopy in the Q-Chem open-teamware community project. The award, which is given annually, includes a certificate and a $500 prize. It commemorates the contributions of Prof. Nick Besley, who is remembered for his multi-faceted contributions to excited-state theory and methodology, with particular emphasis on the… Read More

Call for Nominations: 2022 Michael Wormit Award

November 1, 2021
Michael Wormit

We are now accepting nomination submissions for the 2022 Michael Wormit Award. This award recognizes excellence in the development of new methods and algorithms in the area of electronic structure, and implementation within the Q-Chem open teamware community project. The award, which is given annually, includes a certificate and $500 prize. It commemorates the contributions of Dr. Michael Wormit who is remembered for his state-of-the-art developments of many-body methods, for his leadership… Read More

Announcing, Q-Chem's Annual Fall Sale

November 1, 2021
QChem Nov Sales Banner-Square

It's the best time of the year to purchase a Q-Chem license! During our November Fall sales event, a 12% discount will be applied to all license orders and license upgrades placed by customers directly with Q-Chem before the end of November 2021.  (Please note:  This sale does not apply to Reseller sales.)

Webinar 58: Geometry optimizations and AIMD simulations of molecules under pressure

October 28, 2021
Geometry optimization - AIMD Simulation of molecules

Did you miss our latest webinar, "Geometry optimizations and AIMD simulations of molecules under pressure, by Prof. Tim Neudecker (aka Tim Stauch) of University of Bremen, Germany? Now you can view it on our website here.

Q-Chem's 2022 Holiday Sale!

November 1, 2022

Happy holidays! This year, we're combining Q-Chem's traditional November and December sales events for double the holiday cheer! A 12% discount will be applied to all license orders and license… Read More

Call For Nominations: 2023 Michael Wormit Awards

October 17, 2022

We are now accepting nomination submissions for the 2023 Michael Wormit Award. This award recognizes excellence in the development of new methods and algorithms in the area of electronic structure… Read More

Call For Nominations: 2023 Nick Besley Award

October 17, 2022

We are now accepting nomination submissions for the 2023 Nick Besley Award. This award was established to recognize excellence in the development or application of new methods for computational… Read More

Q-Chem Webinar 67: Projection-based Quantum Mechanical Embedding Methods in Q-Chem

October 13, 2022

Modeling of the environment plays an essential role in computational studies of chemical processes in realistic condensed-phase systems. Projection-based embedding theory provides a robust and… Read More

Q-Chem Webinar 66: Decoding chemical information from vibrational spectroscopy data: Local vibrational mode theory

September 7, 2022
Computer surrounded by molecules

Local vibrational mode theory is a useful tool for characterizing chemical bonding and weak chemical interactions, and the open-source program LModeA can help! It’s designed to work with quantum… Read More