Q-Chem is an ab initio quantum chemistry software package for fast and accurate simulations of molecular systems, including electronic and molecular structure, reactivities, properties, and spectra.
Q-Chem is an ab initio quantum chemistry software package for fast and accurate simulations of molecular systems, including electronic and molecular structure, reactivities, properties, and spectra.
2025 Q-Chem User Workshop (May 22) | |
| Join us in Tokyo for our first 2025 Q-Chem User Workshop, happening on May 22 from 1:30—5:00 PM. 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 initio quantum chemistry simulations with Q-Chem! The talks will cover a broad variety of… Read More |
Q-Chem Webinar 78: Broken Bond Orbitals (BBOs) | |
| 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! | |
| 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 | |
| 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 |
2025 Q-Chem User Workshop (May 22) |
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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. This Q-Chem User Workshop will feature talks from Q-Chem… Read More |
Q-Chem Webinar 78: Broken Bond Orbitals (BBOs) |
|
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)… Read More |
Q-Cloud Is Now Available! |
|
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… Read More |
Q-Chem 2024 Developer Highlights |
|
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… Read More |
