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 |
Call For Nominations: 2023 Nick Besley Award |
| October 17, 2022 |
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We are now accepting nomination submissions for the 2023 Nick Besley Award. This award was established to recognize excellence in the development or application of new methods for computational… Read More |
Q-Chem Webinar 67: Projection-based Quantum Mechanical Embedding Methods in Q-Chem |
| October 13, 2022 |
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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 |
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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 |
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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 |
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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 |