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 | |
| Webinar 54: "Computationally Efficient Approaches to Vibronic Electronic and Resonant Raman Scattering Spectra," was presented on July 28th. The recording is now available on our YouTube channel here.
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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 YouTube channel. 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! |
Webinar 51: "Implicit Solvation Models in Q-Chem, for Ground and Excited States" - Available to View | |
| May 26, 2021 | |
| 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 | |
| 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. |
Anna Krylov is elected as a Fellow of the Royal Society of Chemistry | |
| April 26, 2021 | |
| It has been announced that Q-Chem President and developer, Prof. Anna Krylov, has been elected as a Fellow of the Royal Society of Chemistry. Congratulations, Anna! |
Webinar 49: Ab-Initio Frenkel Davydov Exciton Model _ A tool to investigate collective excitations in extended systems | |
| April 6, 2021 | |
| Watch Q-Chem's Webinar 49, "Ab-Initio Frenkel Davydov Exciton Model: A tool to investigate collective excitations in extended systems," presented on March 31st by Bushra Alam, Ohio State University. |
Q-Chem 6.2 Is Now Available! |
| May 6, 2024 |
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Q-Chem is pleased to announce the release of Q-Chem 6.2. A wide variety of new features have been added, including new methods for modeling Auger decay, several… Read More |
Q-Chem Webinar 72: Multiscale free energy simulations of biochemical reactions using QMHub |
| April 9, 2024 |
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The webinar focused on Xiaoliang's development of the open-source package QMhub, an interface for QM/MM simulations which is designed to work with Q-… Read More |
Register for the 2023 Q-Chem Developer Meeting! |
| December 17, 2023 |
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We are pleased to announce that the 2023 Q-Chem Developer Meeting will be happening on December 17–18 at the University of California, Berkeley. This meeting will focus on providing a gentle… Read More |
Q-Chem 6.1.1 Release |
| December 6, 2023 |
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Q-Chem is pleased to introduce our latest release, Q-Chem 6.1.1. It includes several bugfixes and improvements to the recent 6.1 release. For a full list of updates, fixes, and resolved issues,… Read More |
Call for Nominations: 2024 Nick Besley Award |
| December 4, 2023 |
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Q-Chem is now accepting nominations for the 2024 Nick Besley Award! This annual award recognizes excellence in the development or application of new methods for computational spectroscopy… Read More |