New Video: "Chemistry doesn't happen in a vacuum: Bringing advanced solvent environments to Q-Chem for dynamics and more" | |
| December 15, 2020 | |
| Watch Q-Chem's November webinar, "Chemistry doesn't happen in a vacuum: Bringing advanced solvent environments to Q-Chem for dynamics and more," co-presented on November 23, 2020 by Dr. Maximilian Menger (University of Groningen) and Dr. Vale Cofer-Shabica (University of Pennsylvania). |
Upgrade Today: Q-Chem 5.3.2 is Released! | |
| December 10, 2020 | |
| Q-Chem is pleased to introduce our latest release, Q-Chem 5.3.2. Its improved performance means that your computational work will run more efficiently so you can be more productive. The Q-Chem 5.3 release log contains a complete list of improvements in the software. Any of our customers who have purchased Q-Chem 5.3 are eligible for this upgrade, free of charge. Update your software today! If you do not have a Q-… Read More |
New Video: "PySurf - A Framework for Database Accelerated Direct Dynamics" | |
| November 9, 2020 | |
| Watch Q-Chem's October webinar, "PySurf - A Framework for Database Accelerated Direct Dynamics," presented on October 28, 2020 by Dr. Maximilian Menger (University of Groningen). |
View our latest webinar: GPU Computing with Q-Chem and BrianQC | |
| August 21, 2020 | |
| Last week, István Ladjánszki of BrianQC presented our latest webinar, "GPU Computing with Q-Chem and BrianQC." If you missed it, you can now view it on our YouTube page. Enjoy!
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Prof. Joseph Subotnik Elected APS Fellow | |
| May 1, 2020 | |
| Congratulations to Q-Chem developer, Prof. Joseph Subotnik of the University of Pennsylvania, who has been elected 2020 APS Fellow. The citation for this reads, "For pioneering advances in understanding the nature of nonadiabatic processes and merging electronic structure with chemical dynamics, advances that have allowed us to better model photo-induced processes and dissipation at metal-molecule… Read More |
Joonho Lee Awarded the 2020 Justin Jankunas Doctoral Dissertation Award | |
| April 15, 2020 | |
| Dr. Joonho Lee earned his B.S. in chemistry and physics in 2013 from Pohang University of Science and Technology, South Korea. He then moved to the United States to study as a Kwanjeong Educational Foundation fellow at Caltech where he earned his M.S. in chemistry under Prof. Thomas F. Miller III. Subsequently, he moved to UC Berkeley in 2015 and completed his Ph.D. work in chemistry in 2019 under Prof. Martin P. Head-Gordon. … Read More |
Prof. Martin Head-Gordon Wins the 2020 Schrödinger Medal of WATOC! | |
| February 15, 2020 | |
| Q-Chem developer and Scientific Advisor, Martin Head-Gordon, has been informed that he is to receive the 2020 Schrödinger Medal of WATOC. This is awarded every year to one "outstanding theoretical and computational chemist." The medalist is selected by the WATOC Board through an electronic ballot. WATOC members can suggest candidates by email… Read More |
John Herbert - Recipient of 2020 Edward W. Morley Award | |
| January 27, 2020 | |
| Congratulations to Q-Chem developer and Board Member, John Herbert, who is the recipient of the 2020 Edward W. Morley Award from the Cleveland Section of the American Chemical Society! The award recognizes significant contributions to chemistry through advances in research, teaching, engineering, research administration and public service, outstanding service to humanity, or to industrial… Read More |
Q-Chem is Hiring | |
| November 1, 2019 | |
| Q-CHEM IS HIRING: Research Associate in Computational Chemistry: |
Anna Krylov is Awarded the 2020 Earle K. Plyler Prize for Molecular Spectroscopy & Dynamics | |
| September 30, 2019 | |
| Congratulations to Q-Chem President and developer, Anna Krylov, on being awarded the 2020 Earle K. Plyler Prize for Molecular Spectroscopy & Dynamics "For her innovative work developing high accuracy electronic structure theory to inspire interpretation of spectroscopy of radicals, excited states, and ionization resonances in small molecules, biomolecules, and condensed phase solutes." This award, sponsored by… 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 |
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 |