Webinar 49: Ab-Initio Frenkel Davydov Exciton Model _ A tool to investigate collective excitations in extended systems

Watch Q-Chem's Webinar 49, "Ab-Initio Frenkel Davydov Exciton Model: A tool to investigate collective excitations in extended systems," presented on March 31st by Bushra Alam, Ohio State University.

Summer at Q-Chem 2021 - Now Accepting Applications

Q-Chem has announced that it is now taking applications for its 2021 Summer at Q-Chem program.  Click here to find out more about this year's program and to find out the application procedures.  Application is open to graduate students and postdocs who are members of the Q-Chem developer community.

Congratulations to Marta Lopez Vidal: The 2021 Michael Wormit Award Winner!

Q-Chem is pleased to announce that Marta Lopez Vidal has been chosen as a recipient of the 2021 Michael Wormit Award, on the basis of her scientific innovation, her wealth of exciting new ideas, her impressive code development, and the breadth of her contributions to Q-Chem's infrastructure and to the Q-Chem developers' community.

The Michael Wormit award was established to recognize excellence in the development of new methods and algorithms in the area… Read More

Webinar 48: The ezSpectra Suite: An easy-to-use Toolkit for Spectroscopy Modeling

Watch Q-Chem's Webinar 48, "The ezSpectra Suite: An easy-to-use Toolkit for Spectroscopy Modeling," presented on March 3, 2021 by Dr. Samer Gozem (Georgia State University).

New Videos from the Wormit Award Webinar Mini-Symposium

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

• "From single-molecule magnets to infinite spin chains: A many-body adventure" presented by Dr. Pavel Pokhilko (University of Michigan);
• "Electronic structure methods based on absolutely localized molecular orbitals: from non-covalent interactions to electron transfer" presented by Dr… Read More

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

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!

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

New Video: "PySurf - A Framework for Database Accelerated Direct Dynamics"

Watch Q-Chem's October webinar, "PySurf - A Framework for Database Accelerated Direct Dynamics," presented on October 28, 2020 by Dr. Maximilian Menger (University of Groningen).

View our latest webinar: GPU Computing with Q-Chem and BrianQC

Last week, István Ladjánszki of BrianQC presented our latest webinar, "GPU Computing with Q-Chem and BrianQC."

If you missed it, you can now view it on our YouTube page. Enjoy!

Prof. Joseph Subotnik Elected APS Fellow

Congratulations to Q-Chem developer, Prof. Joseph Subotnik of the University of Pennsylvania, who has been elected 2020 APS Fellow.

The citation for this reads, "For pioneering advances in understanding the nature of nonadiabatic processes and merging electronic structure with chemical dynamics, advances that have allowed us to better model photo-induced processes and dissipation at metal-molecule… Read More