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 Has a New President | |
| September 30, 2019 | |
| We are proud to announce that our board member/developer, Prof. Anna Krylov, has taken the reins as President of Q-Chem. We look forward to much growth and prosperity under her wise leadership! We would also like to take this time to send out our immense appreciation to our former President, Prof. Peter Gill, for all of his years of excellent service and leadership. We feel so lucky and honored to have such an amazing team here at Q-Chem. There is none better. Here's… Read More |
Thomas Jagau Receives European Research Council Starting Grant | |
| September 30, 2019 | |
| Congratulations to Q-Chem developer, Thomas Jagau, of the University of Munich, Germany, who has landed a European Research Council 2019 Starting Grant! Starting Grants are awarded to early-career researchers of any nationality with two to seven years of experience following completion of their PhD and having a scientific track record that shows great promise. Their research must be conducted in a public or… Read More |
Q-Chem Webinar 61: Equation-of-Motion Coupled-Cluster Protocol for Calculating Magnetic Properties of Single-Molecule Magnets |
| March 31, 2022 |
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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… Read More |
Q-Chem President is Awarded the 2022 Associates Award for Creativity in Research and Scholarship |
| February 9, 2022 |
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Congratulations to Q-Chem President Anna Krylov on receiving the 2022 Associates Award for… Read More |
Webinar 60: Orbital Optimized Density Functional Theory for Electronic Excited States |
| January 27, 2022 |
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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… Read More |
Q-Chem 5.4.2 Has Been Released! |
| December 20, 2021 |
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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… Read More |