Q-Chem 6.2 logo over abstract molecules and clouds

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 6.2

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 Webinar 78: Broken Bond Orbitals (BBOs)

Alistair Sterling

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-Cloud graphic

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.

You can lean more about the benefits and… Read More

Q-Chem 2024 Developer Highlights

Glasses on top of books

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

Text reads: "2024 Q-Chem Developer Meeting, December 16 - 19th. Join us on Zoom! www.q-chem.com/news/2024-dev"

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

Q-Chem Webinar 78: Broken Bond Orbitals (BBOs)

Alistair Sterling

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-Cloud graphic

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

Glasses on top of books

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

2024 Q-Chem Developer Workshop

Text reads: "2024 Q-Chem Developer Meeting, December 16 - 19th. Join us on Zoom! www.q-chem.com/news/2024-dev"

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… Read More

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