Help us to honor our two 2020 Wormit Award winners  at our mini-symposium / webinar to be held in their honor on December 2nd from 9:30 a.m. - 11:00 a.m. PST.  Our 2020 winners, Pavel Pokhilko and Yuezhi Mao, will each give a short talk followed by a Q&A session.  Pavel will talk about, "From single-molecule magnets to infinite spin chains: A many-body adventure" and Yuezhi will be speaking on "Electronic structure methods based on absolutely localized molecular orbitals:… Read More

Q-Chem Webinar 45: "Chemistry doesn't happen in a vacuum: Bringing advanced solvent environments to Q-Chem for dynamics and more," to be co-presented by Drs. Maximilian Menger of University of Groningen and Vale Cofer-Shabica of University of Pennsylvania.  YOUTUBE video of this webinar will be posted soon.

Abstract:

The accurate description of electronic energy relaxation in supramolecular and solvated systems presents a considerable challenge for quantum… Read More

Could not make our last webinar, "PySurf - A Framework for Database Accelerated Direct Dynamics,"  presented by Maximillian Menger of the University of Groningen on October 28th?  Q-Chem is pleased to announce that this webinar is now available to view on our YouTube page.

Abstract:
Recent years have seen continuous growth of advanced electronic structure software packages which has had an extraordinary impact on our ability to aid the rational design… Read More

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!