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. |
Call For Nominations: 2024 Wormit Award |
| December 4, 2023 |
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Q-Chem is now accepting nominations for the 2024 Michael Wormit Award! This award recognizes excellence in the development of new methods and algorithms in the area of electronic structure… Read More |
Q-Chem President Anna Krylov Awarded Barry Prize |
| November 14, 2023 |
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Congratulations to Q-Chem President Anna Krylov on receiving the inaugural Barry Prize for Distinguished Intellectual Achievement from the American Academy of Sciences and Letters (AASL). This… Read More |
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 |