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. |
Summer at Q-Chem 2021 - Now Accepting Applications | |
| March 4, 2021 | |
| Q-Chem has announced that it is now taking applications for its 2021 Summer at Q-Chem program. Click here to find out more about this year's program and to find out the application procedures. Application is open to graduate students and postdocs who are members of the Q-Chem developer community. |
Congratulations to Marta Lopez Vidal: The 2021 Michael Wormit Award Winner! | |
| March 3, 2021 | |
| Q-Chem is pleased to announce that Marta Lopez Vidal has been chosen as a recipient of the 2021 Michael Wormit Award, on the basis of her scientific innovation, her wealth of exciting new ideas, her impressive code development, and the breadth of her contributions to Q-Chem's infrastructure and to the Q-Chem developers' community. The Michael Wormit award was established to recognize excellence in the development of new methods and algorithms in the area… Read More |
Webinar 48: The ezSpectra Suite: An easy-to-use Toolkit for Spectroscopy Modeling | |
| February 24, 2021 | |
| Watch Q-Chem's Webinar 48, "The ezSpectra Suite: An easy-to-use Toolkit for Spectroscopy Modeling," presented on March 3, 2021 by Dr. Samer Gozem (Georgia State University). |
New Videos from the Wormit Award Webinar Mini-Symposium | |
| December 18, 2020 | |
| Watch the videos from our 2020 Wormit Award virtual event presented on December 2, 2020: |
New Video: "Chemistry doesn't happen in a vacuum: Bringing advanced solvent environments to Q-Chem for dynamics and more" | |
| December 15, 2020 | |
| Watch Q-Chem's November webinar, "Chemistry doesn't happen in a vacuum: Bringing advanced solvent environments to Q-Chem for dynamics and more," co-presented on November 23, 2020 by Dr. Maximilian Menger (University of Groningen) and Dr. Vale Cofer-Shabica (University of Pennsylvania). |
Upgrade Today: Q-Chem 5.3.2 is Released! | |
| December 10, 2020 | |
| Q-Chem is pleased to introduce our latest release, Q-Chem 5.3.2. Its improved performance means that your computational work will run more efficiently so you can be more productive. The Q-Chem 5.3 release log contains a complete list of improvements in the software. Any of our customers who have purchased Q-Chem 5.3 are eligible for this upgrade, free of charge. Update your software today! If you do not have a Q-… Read More |
New Video: "PySurf - A Framework for Database Accelerated Direct Dynamics" | |
| November 9, 2020 | |
| Watch Q-Chem's October webinar, "PySurf - A Framework for Database Accelerated Direct Dynamics," presented on October 28, 2020 by Dr. Maximilian Menger (University of Groningen). |
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 |
Q-Chem Webinar 69: ADC for Electron Detachment and Attachment (Wormit Award) |
| June 19, 2023 |
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Quantum-chemical methods based on Algebraic Diagrammatic Construction (ADC) theory have been around for more than 40 years. They are based on perturbation theory and have served as a basis for a… Read More |