Remembering Nick Besley

We are enormously saddened by the passing of Dr. Nicholas Besley. Nick was a Q-Chem developer for almost 20 years and made many important contributions, especially to TDDFT and x-ray spectroscopy and the AIRBED methodology in Q-Chem 5.4. Nick was Professor of Theoretical Chemistry at the University of Nottingham (UK). His scientific career included periods with Peter Knowles, Peter Gill, and Martin Head-Gordon. Nick was a wonderful colleague, a loving husband and a devoted father, and we offer our heartfelt condolences to both Elena and Emily.

Q-Chem 5.4

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.

Webinar 54: Computationally Efficient Approaches to Vibronic Electronic and Resonant Raman Scattering Spectra

Vibrational and Excited States Graph

Q-Chem has just announced Webinar 54:  "Computationally Efficient Approaches to Vibronic Electronic and Resonant Raman Scattering Spectra." 

Visit https://attendee.gotowebinar.com/register/3524096811537695503 for more information and to register.

We hope to see you there!

Webinar 53: Q-Force: Automated parametrization of QM-based force fields using Q-Chem

Q-Force Image

Did you miss our last webinar, "Q-Force: Automated parametrization of QM-based force fields using Q-Chem," presented by Dr. Selim Sami on June 24th?  It is now available to view on our website.

Enjoy!

Wormit Award Mini-Syposium 2021: "Development and Applications of Coupled-Cluster Methods for X-Ray Spectroscopy"

Webinar 52 image

The 2021 Michael Wormit Award Mini-Symposium presentation, "Development and Applications of Coupled-Cluster Methods for X-Ray Spectroscopy," given by this year's Wormit Award winner, Dr. Marta Lopez-Vidal, is now available to view on our website.  Check it out here.

Q-Chem 5.4 Has Been Released!

Introducing Q-Chem 5.4

Q-Chem is pleased to introduce our latest release, Q-Chem 5.4. Its improved performance means that your computational work will run more efficiently so you can be more productive.  Check out the new features and consider upgrading today!

Webinar 54: Computationally Efficient Approaches to Vibronic Electronic and Resonant Raman Scattering Spectra

Vibrational and Excited States Graph

Q-Chem has just announced Webinar 54:  "Computationally Efficient Approaches to Vibronic Electronic and Resonant Raman Scattering Spectra." 

Visit … Read More

Webinar 53: Q-Force: Automated parametrization of QM-based force fields using Q-Chem

Q-Force Image

Did you miss our last webinar, "Q-Force: Automated parametrization of QM-based force fields using Q-Chem," presented by Dr. Selim Sami on June 24th?  It is now available to Read More

Wormit Award Mini-Syposium 2021: "Development and Applications of Coupled-Cluster Methods for X-Ray Spectroscopy"

Webinar 52 image

The 2021 Michael Wormit Award Mini-Symposium presentation, "Development and Applications of Coupled-Cluster Methods for X-Ray Spectroscopy," given by this year's Wormit Award winner, Dr. Marta… Read More

Q-Chem 5.4 Has Been Released!

Introducing Q-Chem 5.4

Q-Chem is pleased to introduce our latest release, Q-Chem 5.4. Its improved performance means that your computational work will run more efficiently so you can be more productive. … Read More

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