Q-Chem 6.0 Has Been Released! | |
| July 1, 2022 | |
| Q-Chem is pleased to introduce our latest release, Q-Chem 6.0. 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 64: Q-Chem 6 - Dawn of the Next Generation | |
| June 20, 2022 | |
| Did you miss our latest webinar, "Q-Chem 6 - Dawn of the Next Generation," presented on June 16, 2022 by Prof. Martin Head-Gordon of University of California, Berkeley? The video of this presentation is now available to view. Check it out here. |
Annual Q-Chem Award Symposium | |
| June 14, 2022 | |
| Video presentations are now available for viewing from the two award presentations by the 2022 Wormit Award Winner, Dr. Xintian Feng and by the 2022 Besley Award Winner, Florian Matz. 2022 Annual Q-Chem Awards Webinar Mini-Symposium was presented on June 9, 2022. Presentations were given by Wormit award winner, Dr. Xintian Feng, "RI-DFT in QChem 6" and Besley award winner, Florian Matz,… Read More |
Q-Chem Developer Joonho Lee Appointed as Assistant Professor at Harvard University | |
| May 25, 2022 | |
| Congratulations to Q-Chem developer Joonho Lee on his appointment as an Assistant Professor in the Department of Chemistry and Chemical Biology at Harvard University! Joonho has made many significant contributions to Q-Chem over the years, including orbital-optimized MP2 methods, CCVB-SD methods for handling strong correlation, and periodic DFT. He has also done significant work to make Q-Chem's core infrastructure more modular and easy to use for other developers. The Lee research… Read More |
Florian Matz - Winner of the 2022 Nick Besley Award | |
| May 3, 2022 | |
| Congratulations to the winner of the 2022 Nick Besley Award, Florian Matz! Florian, together with his Ph.D. advisor Prof. Thomas-C Jagau, presented a completely novel computational protocol to evaluate Auger decay rates in atoms and molecules, based on Complex Basis Functions (CBF) method combined with coupled-cluster (CC) and equation-of-motion (EOM) wave functions. This new methodology comes with multiple practical advantages, including access to partial decay… Read More |
Xintian Feng - Winner of the 2022 Michael Wormit Award | |
| May 3, 2022 | |
| Congratulations to Dr. Xintian Feng, winner of the 2022 Michael Wormit Award! Xintian has been responsible for most of Q-Chem’s DFT and TDDFT performance improvements over the past several years. One part of this effort was building efficient code for RI-based DFT at the level of energies, gradients and frequencies. His code was carefully optimized to yield very good parallel performance. His improvements to the parallel performance of the OccRIK algorithm have… Read More |
Q-Chem Webinar 61: Equation-of-Motion Coupled-Cluster Protocol for Calculating Magnetic Properties of Single-Molecule Magnets | |
| March 31, 2022 | |
| Did you miss Q-Chem's latest webinar, "Equation-of-Motion Coupled-Cluster Protocol for Calculating Magnetic Properties of Single-Molecule Magnets," presented by Dr. Maristella Alessio on March 31, 2022? You can now check out the presentation by clicking here. |
Spring QMP Sale -- Order Now to Beat the Price Increase | |
| March 21, 2022 | |
| Purchase Q-Chem 5.4 today, and get Q-Chem 6.0 at our current prices: Our current promotion allows customers to Purchase Q-Chem 5.4 and get free QMP for three months to include the upgrade to Version 6.0. Purchase a license now with QMP, and get the upgrade to Version 6.0 plus the upgrade to Version 6.1! |
Q-Chem President is Awarded the 2022 Associates Award for Creativity in Research and Scholarship | |
| February 9, 2022 | |
| Congratulations to Q-Chem President Anna Krylov on receiving the 2022 Associates Award for Creativity in Research and Scholarship from University of Southern California. Anna has been chosen to receive this award which is the highest honor the University of Southern California faculty awards to its own members for their intellectual achievements. Congratulations, Anna! |
Webinar 60: Orbital Optimized Density Functional Theory for Electronic Excited States | |
| January 27, 2022 | |
| Did you miss Q-Chem's latest webinar, "Orbital Optimized Density Functional Theory for Electronic Excited States," presented by Diptarka Hait of University of California at Berkeley? You can now check out the presentation by clicking here. |
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 |
Q-Chem Developer Thomas Jagau Awarded 2023 Dirac Award |
| February 16, 2023 |
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Q-Chem is very pleased to congratulate Thomas Jagau on his receipt of the prestigious 2023 Dirac Medal! The Dirac Medal is awarded annually to an… Read More |