Webinar 56: Evaluating Oxidation States in Challenging Organometallic Complexes: What are the Electrons Doing?

August 31, 2021
Ferrocene with localized orbitals

Did you miss our webinar, "Evaluating Oxidation States in Challenging Organometallic Complexes: What are the Electrons Doing?" presented by Prof. Martin Head-Gordon?

The recording of this presentation can now be viewed here.

Hot Off The Press: The Q-Chem 5 Paper!

August 24, 2021
Q-Chem 5.4 paper is out

We are very pleased to announce that the Q-Chem 5 paper has officially been published! This paper covers all of the most recent advances in Q-Chem, including discussion of several new many-body methods, core-level spectroscopy modeling, the nuclear-electronic orbital method, energy decomposition analysis, parallelization, GPU speedup, and more. With over 100 contributors from all across the world, there's certainly a lot to explore.… Read More

Q-Chem 55: Special Webinar Event: Teaching with Q-Chem

August 18, 2021
Molecule

Did you miss our last webinar, "Special Webinar Event: Teaching with Q-Chem"? It is jam-packed with tips and useful tools that will help you to use Q-Chem in your classroom, and you can now view it here.

Enjoy!

Q-Chem 5.4.1 Has Been Released!

August 16, 2021
Q-Chem 5.4 logo over a cube-shaped lattice structure

Q-Chem is pleased to announce the release of Q-Chem 5.4.1! 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 5.4.1 for free. Upgrade your copy of Q-Chem here!

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

Webinar 54: Computationally Efficient Approaches to Vibronic Electronic and Resonant Raman Scattering Spectra

July 28, 2021
Vibronic Electronic and Resonant Raman Scattering Spectra

VIDEO IS COMING SOON!  Webinar 54:  "Computationally Efficient Approaches to Vibronic Electronic and Resonant Raman Scattering Spectra," was presented on July 28th.

 

Webinar 53: Q-Force: Automated parametrization of QM-based force fields using Q-Chem

June 24, 2021
QMMM QForce Force Field Graph

Did you miss our last webinar, "Q-Force: Automated parametrization of QM-based force fields using Q-Chem," presented by Dr. Selim Sami on June 24th?  It is now available to view on our website.

Enjoy!

Wormit Award Mini-Syposium 2021: "Development and Applications of Coupled-Cluster Methods for X-Ray Spectroscopy"

June 14, 2021
Webinar 52 image

The 2021 Michael Wormit Award Mini-Symposium presentation, "Development and Applications of Coupled-Cluster Methods for X-Ray Spectroscopy," given by this year's Wormit Award winner, Dr. Marta Lopez-Vidal, is now available to view on our website.  Check it out here.

Q-Chem 5.4 Has Been Released!

June 1, 2021
Introducing Q-Chem 5.4

Q-Chem is pleased to introduce our latest release, Q-Chem 5.4. Its improved performance means that your computational work will run more efficiently so you can be more productive.  Check out the new features and consider upgrading today!

Webinar 51: "Implicit Solvation Models in Q-Chem, for Ground and Excited States" - Available to View

May 26, 2021
Webinar 51

Q-Chem's 51st webinar, "Implicit Solvation Models in Q-Chem, for Ground and Excited States"  presented by Prof. John Herbert on May 26th, can now be viewed on our website.

Webinar 50: "What's New in Q-Chem 5.4"-Available to View

April 27, 2021
Introducing Q-Chem 5..4

If you missed our webinar, "What's New in Q-Chem 5.4," presented on May 6th by Dr. Evgeny Epifanovsky, it is now available to view.

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… Read More

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… Read More

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… 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… Read More

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… Read More