Upcoming Q-Chem User Workshop: Pittsburgh | |
| July 23, 2025 | |
| Join us in Pittsburgh for our next Q-Chem User Workshop, happening on July 23 from 9:00 AM—1:00 PM. Register here! This Q-Chem User Workshop will feature talks from Q-Chem team members, as well as hands-on demonstrations and exercises. Explore new features, hear from experts, and learn useful strategies for running fast, accurate ab initio quantum chemistry… Read More |
Virtual Q-Chem User Workshop | |
| June 11, 2025 | |
| Recordings from our recent Q-Chem User Workshop (held virtually on June 11, 2025) are now available! This free workshop, hosted in collaboration with the Virtual Winter School in Computational Chemistry and OMSF, provided an introduction to several basic features within the Q-Chem software package. It included several hands-on exercises using IQmol, Q-Chem's free molecule visualizer and job server. Thanks to all of you for making this workshop a… Read More |
Q-Chem 6.3 Is Now Available! | |
| May 23, 2025 | |
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Q-Chem is pleased to announce the release of Q-Chem 6.3! New features include new analysis tools; new methods for open-shell species, high-accuracy calculations, and inclusion of solvent and environmental effects; a sophisticated new "robust SCF" procedure; and many other features and performance improvements. For a full list of new features and bugfixes, please review the official Q-Chem 6.3 release log here. Users… Read More |
2025 Q-Chem User Workshop (May 22) | |
| May 22, 2025 | |
| Join us in Tokyo for our first 2025 Q-Chem User Workshop, happening on May 22 from 1:30—5:00 PM. Register here! This Q-Chem User Workshop will feature talks from Q-Chem board members Anna Krylov and Martin Head-Gordon, as well as hands-on demonstrations and exercises. Explore new features, hear from experts, and learn practical strategies for running fast, accurate ab… Read More |
Q-Chem President Anna Krylov Elected To American Academy of Arts & Sciences | |
| May 13, 2025 | |
| Congratulations to Q-Chem President Anna Krylov on being elected to the American Academy of Arts & Sciences! The Academy, founded in 1780 during the American Revolution by several Founding Fathers of the United States, is an honorary society that recognizes excellence, collaboration, and good leadership across a broad variety of disciplines. Anna is recognized for her phenomenal work in theoretical and computational chemistry, including spin-flip and developments in methods for… Read More |
Q-Chem Webinar 78: Broken Bond Orbitals (BBOs) | |
| January 29, 2025 | |
| Q-Chem is pleased to announce that our most recent webinar is now available for viewing! This webinar, which focused on the nature of the molecular bond and the new Broken Bond Orbital (BBO) implementation in Q-Chem, was presented by Alistair Sterling (UT Dallas). The webinar recording is available for viewing here. The chemical bond is the cornerstone of chemistry, providing a conceptual framework to understand and predict the behavior of molecules in… Read More |
Q-Cloud Is Now Available! | |
| January 21, 2025 | |
| Q-Chem is pleased to announce the release of Q-Cloud! Q-Cloud is a new product that allows users to run Q-Chem on AWS cloud computing architecture. Cloud computing offers many benefits over traditional computing models, including flexible resource scaling; reduced infrastructure, support, and maintenance costs; ongoing access to the most cutting-edge technology; and improved energy efficiency. |
Q-Chem 2024 Developer Highlights | |
| January 1, 2025 | |
| Happy New Year from Q-Chem! As we welcome 2025, we want to celebrate the accomplishments of our Q-Chem developers over the past year. We have compiled a list of highlighted journal publications from Q-Chem developers in 2024; check them out to discover what some of our developer groups have been working on! Please note that the list below is not comprehensive, so if you would like to see a specific journal article highlighted on this list, please reach… Read More |
2024 Q-Chem Developer Workshop | |
| December 16, 2024 | |
| The 2024 Q-Chem Developer Workshop took place virtually from December 16—19th, in half-day-long sessions. This free workshop was open to all Q-Chem developers regardless of experience, and provided an introduction to developing in Q-Chem. Topics included introductory materials for beginners (proper use of debuggers, tips for troubleshooting compilation errors, and the Q-Chem development cycle), as well as materials for more advanced developers (how… Read More |
John Herbert Elected ACS COMP Chair 2026 | |
| November 22, 2024 | |
| Congratulations to Q-Chem board member Prof. John Herbert on being selected as the Chair 2026 (2025 Chair-elect) of the ACS COMP Division! This division serves a diverse community of chemists who are interested in a broad range of theoretical chemistry applications. They encourage education, mentorship, and career-building, and they support scientific communication, collaboration, and outreach among computational chemists. To learn … Read More |
Virtual Q-Chem User Workshop |
| June 11, 2025 |
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Recordings from our recent Q-Chem User Workshop (held virtually on June 11, 2025) are now available! This free workshop, hosted in collaboration with the Virtual… Read More |
Q-Chem 6.3 Is Now Available! |
| May 23, 2025 |
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Q-Chem is pleased to announce the release of Q-Chem 6.3! New features include new analysis tools; new methods for open-shell species, high-accuracy calculations,… Read More |
2025 Q-Chem User Workshop (May 22) |
| May 22, 2025 |
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Join us in Tokyo for our first 2025 Q-Chem User Workshop, happening on May 22 from 1:30—5:00 PM.… Read More |
Q-Chem President Anna Krylov Elected To American Academy of Arts & Sciences |
| May 13, 2025 |
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Congratulations to Q-Chem President Anna Krylov on being elected to the American Academy of Arts & Sciences! The Academy, founded in 1780 during the American Revolution by several… Read More |