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.
|
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! |
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 Webinar 67: Projection-based Quantum Mechanical Embedding Methods in Q-Chem |
| October 13, 2022 |
|
Modeling of the environment plays an essential role in computational studies of chemical processes in realistic condensed-phase systems. Projection-based embedding theory provides a robust and… Read More |
Q-Chem Webinar 66: Decoding chemical information from vibrational spectroscopy data: Local vibrational mode theory |
| September 7, 2022 |
|
Local vibrational mode theory is a useful tool for characterizing chemical bonding and weak chemical interactions, and the open-source program LModeA can help! It’s designed to work with quantum… Read More |
Q-Chem 6.0.1 Is Released |
| August 24, 2022 |
|
Q-Chem is pleased to introduce our latest release, Q-Chem 6.0.1. It includes several bugfixes and improvements to the recent 6.0 release. For a full list of updates, fixes, and resolved issues,… Read More |
Q-Chem Webinar 65: Non-Hermitian Quantum Chemistry Methods in Q-Chem |
| August 11, 2022 |
|
Most quantum chemistry methods assume that all electrons remain bound to the nuclei, but how do we accurately model situations where this isn't the case? The answer can be found in non-Hermitian… Read More |
Q-Chem Welcomes Two New Board Members |
| August 3, 2022 |
|
We are delighted to welcome two new members to the Q-Chem board, Dr. Yuezhi Mao and Dr. Joonho Lee. Yuezhi and Joonho are well-known to the Q-Chem developer community for their extensive… Read More |