Q-Chem 5.3

Facilitating Worldwide Scientific Breakthroughs

Q-Chem is a comprehensive ab initio quantum chemistry software for accurate predictions of molecular structures, reactivities, and vibrational, electronic and NMR spectra. Find out about Q-Chem’s features or try Q-Chem for free.

Call for Nominations for 2021 Michael Wormit Award

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We are now accepting nomination submissions for the 2021 Michael Wormit Award.   This award recognizes excellence in development of new methods and algorithms in the area of electronic structure, and implementation within the Q-Chem open teamware community project. The award, which is given annually, includes a certificate and $500 prize. It commemorates the contributions of Dr. Michael Wormit who is remembered for his state-of-the-art developments of many-body methods, for his leadership in… Read More

New Video: "Chemistry doesn't happen in a vacuum: Bringing advanced solvent environments to Q-Chem for dynamics and more"

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Watch Q-Chem's November webinar, "Chemistry doesn't happen in a vacuum: Bringing advanced solvent environments to Q-Chem for dynamics and more," co-presented on November 23, 2020 by Dr. Maximilian Menger (University of Groningen) and Dr. Vale Cofer-Shabica (University of Pennsylvania).

Upgrade Today: Q-Chem 5.3.2 is Released!

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Q-Chem is pleased to introduce our latest release, Q-Chem 5.3.2. Its improved performance means that your computational work will run more efficiently so you can be more productive. The Q-Chem 5.3 release log contains a complete list of improvements in the software.

Any of our customers who have purchased Q-Chem 5.3 are eligible for this upgrade, free of charge. Update your software today!

If you do not have a Q-… Read More

Call for Nominations for 2021 Michael Wormit Award

Michael Wormit Image

We are now accepting nomination submissions for the 2021 Michael Wormit Award.   This award recognizes excellence in development of new methods and algorithms in the area of electronic structure,… Read More

New Videos from the Wormit Award Webinar Mini-Symposium

Wormit Awards

Watch the videos from our 2020 Wormit Award virtual event presented on December 2, 2020:

New Video: "Chemistry doesn't happen in a vacuum: Bringing advanced solvent environments to Q-Chem for dynamics and more"

Webinar 45 Image

Watch Q-Chem's November webinar, "Chemistry doesn't happen in a vacuum: Bringing advanced solvent environments to Q-Chem for dynamics and more," co-presented on November… Read More

Upgrade Today: Q-Chem 5.3.2 is Released!

5.3 Logo

Q-Chem is pleased to introduce our latest release, Q-Chem 5.3.2. Its improved performance means that your computational work will run more efficiently so you can be more productive. The… Read More

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