Q-Chem 6.1 logo over keyboard and molecules on desk

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 structure.

Q-Chem 6.1

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 structure.

Register for the 2023 Q-Chem Developer Meeting!

Q-Chem Developer Meeting, December 17-18, 2023 at UC Berkeley

We are pleased to announce that the 2023 Q-Chem Developer Meeting will be happening on December 17–18 at the University of California, Berkeley. This meeting will focus on providing a gentle introduction to the process of developing within Q-Chem, and will include lectures presented by the Q-Chem team and board members, tutorial sessions, and hands-on hackathon sessions. Lunch will be provided on both days, and a social hour will be happening on Sunday evening, for those who would like to… Read More

Q-Chem 6.1.1 Release

Q-Chem 6.1 logo over molecules, coffee/tea, pens, and keyboard

Q-Chem is pleased to introduce our latest release, Q-Chem 6.1.1. It includes several bugfixes and improvements to the recent 6.1 release. For a full list of updates, fixes, and resolved issues, please review the 6.1 changelog here.

Any of our customers who have purchased Q-Chem 6.1 can upgrade to 6.1.1 for free. Upgrade your copy of Q-Chem here!

If you haven't bought 6.1 yet… Read More

Call for Nominations: 2024 Nick Besley Award

Nick Beseley

Q-Chem is now accepting nominations for the 2024 Nick Besley Award!

This annual award recognizes excellence in the development or application of new methods for computational spectroscopy in the Q-Chem open-teamware community project. It includes a certificate and a $500 prize, as well as an invitation to give a Q-Chem webinar on the recipient's work. The award commemorates the contributions of Prof. Nick Besley, who is remembered for his multi-faceted contributions to excited-state… Read More

Call For Nominations: 2024 Wormit Award

Michael Wormit

Q-Chem is now accepting nominations for the 2024 Michael Wormit Award!

This award recognizes excellence in the development of new methods and algorithms in the area of electronic structure, and implementation within the Q-Chem open teamware community project. The award includes a certificate and $500 prize, as well as an invitation to present a special Q-Chem webinar on the recipient's work. It commemorates the contributions of Dr. Michael Wormit, who is remembered for his state-of-… Read More

Register for the 2023 Q-Chem Developer Meeting!

Q-Chem Developer Meeting, December 17-18, 2023 at UC Berkeley

We are pleased to announce that the 2023 Q-Chem Developer Meeting will be happening on December 17–18 at the University of California, Berkeley. This meeting will focus on providing a gentle… Read More

Q-Chem 6.1.1 Release

Q-Chem 6.1 logo over molecules, coffee/tea, pens, and keyboard

Q-Chem is pleased to introduce our latest release, Q-Chem 6.1.1. It includes several bugfixes and improvements to the recent 6.1 release. For a full list of updates, fixes, and resolved issues,… Read More

Call for Nominations: 2024 Nick Besley Award

Nick Beseley

Q-Chem is now accepting nominations for the 2024 Nick Besley Award!

This annual award recognizes excellence in the development or application of new methods for computational spectroscopy… Read More

Call For Nominations: 2024 Wormit Award

Michael Wormit

Q-Chem is now accepting nominations for the 2024 Michael Wormit Award!

This award recognizes excellence in the development of new methods and algorithms in the area of electronic structure… Read More

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