Webinar 58: Geometry optimizations and AIMD simulations of molecules under pressure | |
| October 28, 2021 | |
| 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. |
Webinar 57: Reduced-density-matrix-based methods in Q-Chem for strongly-correlated electrons | |
| September 30, 2021 | |
| Webinar 57, "Reduced-density-matrix-based methods in Q-Chem for strongly-correlated electrons," presented by Prof. Eugene DePrince of Florida State University on September 30th is now available to view on our website. Check it out here. |
Webinar 56: Evaluating Oxidation States in Challenging Organometallic Complexes: What are the Electrons Doing? | |
| August 31, 2021 | |
| 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 | |
| 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 | |
| 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 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 | |
| VIDEO IS COMING SOON! Webinar 54: "Computationally Efficient Approaches to Vibronic Electronic and Resonant Raman Scattering Spectra," was presented on July 28th.
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Webinar 53: Q-Force: Automated parametrization of QM-based force fields using Q-Chem | |
| June 24, 2021 | |
| 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 | |
| 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 | |
| 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! |
Q-Chem President Anna Krylov Awarded Barry Prize |
| November 14, 2023 |
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Congratulations to Q-Chem President Anna Krylov on receiving the inaugural Barry Prize for Distinguished Intellectual Achievement from the American Academy of Sciences and Letters (AASL). This… Read More |
Q-Chem 2023 Holiday Sale! |
| November 1, 2023 |
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Happy holidays! It's time for Q-Chem's annual holiday sale, happening in November and December! A 12% discount will be applied to all license orders and license upgrades placed directly with Q-… Read More |
Q-Chem Webinar 71: Development of NEO Methods in Q-Chem 6 |
| August 16, 2023 |
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Nuclear quantum effects such as zero-point energy and nuclear density delocalization are important in a variety of applications in chemistry and biology. The nuclear-electronic orbital (NEO)… Read More |
Q-Chem Webinar 70: Calculating NMR Shielding with GIAO |
| July 31, 2023 |
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Molecular property calculations have long been a cornerstone of computational chemistry, providing invaluable insights for experimental work. Among these properties, nuclear magnetic resonance (… Read More |
Announcing the Q-Chem 6.1 Release |
| July 10, 2023 |
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Q-Chem is pleased to announce the release of Q-Chem 6.1. A variety of new features have been added, including force decomposition analysis,… Read More |