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. |
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: |
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 |
Q-Chem Webinar 68: Orbital optimized density functional theory for core-level excited states and applications to molecular symmetry breaking |
| May 11, 2023 |
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Electronic excited states with singly occupied inner shells are challenging to model with traditional linear response methods like time… Read More |
Q-Chem Developer Felix Plasser Awarded EuChemS Walter Thiel Award |
| April 2, 2023 |
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Congratulations to Q-Chem developer Felix Plasser, who has been awarded the EuChemS Walter Thiel Award in Computational and Theoretical Chemistry! This award is recognizes the exemplary scientific… Read More |