Q-Chem Holiday Discount: 12% off all license purchases made directly with Q-Chem through Dec 31, 2022 Q-Chem Holiday Discount: 12% off all license purchases made directly with Q-Chem through Dec 31, 2022

Dawn of the Next Generation

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.

Q-Chem 6.0
 

Q-Chem's 2022 Holiday Sale!

Happy holidays! This year, we're combining Q-Chem's traditional November and December sales events for double the holiday cheer! A 12% discount will be applied to all license orders and license upgrades placed directly with Q-Chem before the end of December 2022. (Please note: This sale does not apply to reseller sales.)

Contact us for a quote today!

Call For Nominations: 2023 Michael Wormit Awards

We are now accepting nomination submissions for the 2023 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, 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… Read More

Call For Nominations: 2023 Nick Besley Award

We are now accepting nomination submissions for the 2023 Nick Besley Award. This award was established to recognize excellence in the development or application of new methods for computational spectroscopy in the Q-Chem open-teamware community project. The award, which is given annually, includes a certificate and a $500 prize. It commemorates the contributions of Prof. Nick Besley, who is remembered for his multi-faceted contributions to electronic excited-state theory and methodology,… Read More

Q-Chem Webinar 67: Projection-based Quantum Mechanical Embedding Methods in Q-Chem

Modeling of the environment plays an essential role in computational studies of chemical processes in realistic condensed-phase systems. Projection-based embedding theory provides a robust and formally exact approach to incorporating the environment quantum mechanically. Q-Chem Webinar 67, presented by Yuezhi Mao, discusses the theory underlying his Q-Chem implementation of the DFT-in-DFT and WFT-in-DFT embedding schemes, the techniques available for the robust partition of occupied spaces… Read More

Q-Chem's 2022 Holiday Sale!

Happy holidays! This year, we're combining Q-Chem's traditional November and December sales events for double the holiday cheer! A 12% discount will be applied to all license orders and license… Read More

Call For Nominations: 2023 Michael Wormit Awards

We are now accepting nomination submissions for the 2023 Michael Wormit Award. This award recognizes excellence in the development of new methods and algorithms in the area of electronic structure… Read More

Call For Nominations: 2023 Nick Besley Award

We are now accepting nomination submissions for the 2023 Nick Besley Award. This award was established to recognize excellence in the development or application of new methods for computational… Read More

Q-Chem Webinar 67: Projection-based Quantum Mechanical Embedding Methods in Q-Chem

Modeling of the environment plays an essential role in computational studies of chemical processes in realistic condensed-phase systems. Projection-based embedding theory provides a robust and… Read More

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