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 |
Thomas Jagau Awarded the Hellmann-Award | |
| September 26, 2019 | |
| Congratulations to Q-Chem developer, Thomas Jagau, on being awarded the Hans G. A. Hellmann-Prize for Theoretical Chemistry for young German-speaking theoretical chemists! This award commemorates a pioneer of Quantum Chemistry, Hans G. A. Hellmann (1903 - 1938). It is periodically awarded to promising young German theoretical chemists to honor their accomplishments.
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Prof. Shirin Faraji Joins the Q-Chem Board of Directors | |
| July 27, 2019 | |
| Q-Chem is proud to announce our newest board member, Dr. Shirin Faraji of the University of Groningen. Welcome, Shirin! |
Prof. Martin Head-Gordon elected to Royal Society of the UK | |
| June 7, 2019 | |
| Congratulations to Q-Chem Advisor and developer, Prof. Martin Head-Gordon, of the University of California at Berkeley, on being elected to the extremely prestigious Royal Society of the UK. Posted citation reads, "Head-Gordon has advanced quantum chemistry in three critical components - theory, algorithms, and software. This includes major advances in foundational quantum mechanical wavefunction methods, practical density functional theory and the interpretation of quantum… Read More |
Publication by Q-Chem Developers: "Feshbach-Fano Approach for Calculation of Auger Decay Rates Using Equation-of-Motion Coupled-Cluster Wave Functions: Theory and Implementation" | |
| November 15, 2020 | |
| Congratulations to Wojciech Skomorowski and Anna I. Krylov on their new theory for calculating Auger decay rates using equation-of-motion coupled-cluster wave-functions, "Feshbach-Fano approach for the calculation of Auger decay rates using equation-of-motion coupled-cluster wave functions: Theory and implementation" Skomorowski, Wojciech; Krylov, Anna (2020): Feshbach-Fano Approach for Calculation of Auger Decay Rates Using Equation-of-Motion Coupled-Cluster Wave Functions: Theory… Read More |
Yuezhi Mao - Winner of the 2020 Michael Wormit Award | |
| July 1, 2020 | |
| Congratulations to the 2020 Michael Wormit Award winner, Yuezhi Mao. Dr. Mao is recognized for his unparalleled work on Q-Chem's infrastructure, his commitment to code maintenance, his selfless assistance to other Q-Chem developers, as well as for his important technical contributions. The Michael Wormit Award was established in 2016 to recognize excellence in the development of new methods and algorithms in electronic structure theory and the… Read More |
Pavel Pokhilko - Winner of the 2020 Michael Wormit Award | |
| July 1, 2020 | |
| Congratulations to the 2020 Michael Wormit Award winner, Pavel Pokhilko. Dr. Pokhilko has made substantial contributions to the base Q-Chem code and has been actively engaged in the developer community. He has helped less-experienced developers to navigate Q-Chem infrastructure and the ccman2 code in particular, including outside collaborations in the groups of Profs.… Read More |
Introducing Q-Chem 5.3! | |
| June 18, 2020 | |
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We are pleased to announced our latest release: Q-Chem 5.3! Its improved performance means that your computational work will run more efficiently so you can be more productive. • Support for meta-GGA density functionals for TDDFT analytic forces and frequencies (with contributions by Narbe Mardirossian) |
Q-Chem Developer Joonho Lee Appointed as Assistant Professor at Harvard University |
| May 25, 2022 |
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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… Read More |
Florian Matz - Winner of the 2022 Nick Besley Award |
| May 3, 2022 |
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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… Read More |
Xintian Feng - Winner of the 2022 Michael Wormit Award |
| May 3, 2022 |
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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… 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 |
