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. |
Q-Chem 5.4.2 Has Been Released! | |
December 20, 2021 | |
Q-Chem is pleased to announce the release of Q-Chem 5.4.2! 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 5.4.2 for free. Upgrade your copy of Q-Chem here! If you do not have license for Q-Chem 5.4,… Read More |
Announcing the Q-Chem December Holiday Sales Promotion | |
December 1, 2021 | |
Happy Holidays! During our December holiday sales event, a 10% discount will be applied to all license orders and license upgrades placed by customers directly with Q-Chem before the end of December 2021. (Please note: This sale does not apply to reseller sales.) |
Webinar 59: Restricted Active Space CI family of methods in Q-Chem | |
November 24, 2021 | |
Did you miss our latest webinar, "Restricted Active Space CI family of methods in Q-Chem," presented by Dr. David Casanova of Donostia International Physics Center (DICP) on November 24th? The video of this presentation has now been uploaded to our website. Check it out here. |
Q-Chem Developer Felix Plasser Awarded EuChemS Walter Thiel Award |
April 2, 2023 |
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 |
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 |
Q-Chem Developer Debashree Ghosh Awarded 2022 Walter Kohn Prize |
December 15, 2022 |
Q-Chem is pleased to congratulate Debashree Ghosh on being awarded the 2022 Walter Kohn Prize! She is recognized… Read More |
Q-Chem 6.0.2 Is Released |
December 13, 2022 |
Q-Chem is pleased to introduce our latest release, Q-Chem 6.0.2. 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's 2022 Holiday Sale! |
November 1, 2022 |
Happy holidays! This year, we're combining Q-Chem's traditional November and December sales events for double the holiday cheer! A 12% discount will be applied to all license orders and license… Read More |