We're delighted to announce that Q-Chem will be attending WATOC 2022!
The conference will be held in Vancouver, Canada on July 3-8, 2022. For more information about WATOC, and to register, click here. Please keep tabs on this page for updated information about our Q-Chem booth, presentations from our staff scientists and Q-Chem community members, and other details.
Enter to win a laser-engraved Q-Chem thermos! Stop by our booth and pick up a quick quantum chemistry problem to solve. Then download IQmol and submit your solution, along with your name and email address, in our raffle jar. Winners will be drawn twice daily.
Participating in the raffle? Download IQmol here to solve the problem!
Visit Our BoothInterested in learning how to use IQmol? Want to give Q-Chem 6.0 a spin, or get your hands on some cool merch? Maybe you just can't wait to see what we've been working on for the past two years... Whatever the case may be, come by our booth in the exhibition hall to say hello. We look forward to seeing you!
Talks From Q-Chem Scientists And Developers
Interested in checking out what other Q-Chem community members have been up to? There are plenty of opportunities! Don't miss these talks, communications, and posters from the following Q-Chem developers and scientists:
- Andrew Gilbert
- Coriani, Sonia
- Faraji, Shirin
- Aspuru-Guzik, Alan
- Bravaya, Ksenia B.
- Gill, Peter
- Head-Gordon, Teresa
- Jagau, Thomas
- Krylov, Anna
- Ochsenfeld, Christian
- Slipchenko, Lyudmila
- Truhlar, Don
- Head-Gordon, Martin
- Tkatchenko, Alexandre
Also, be sure to attend our talk on Q-Chem 6:
Q-Chem 6: Dawn Of The Next Generation. This short talk will discuss the technical advances included in the sixth major release of the Q-Chem ab initio quantum chemistry software package. Q-Chem continues to offer a comprehensive library of density functionals and correlated many-body methods, providing accurate and efficient predictions of molecular structures, reactivities, and vibrational, electronic and NMR spectra. Our “open teamware” approach and modular developer environment continues to foster to a large international community of developers, which currently includes over 100 active academic Q-Chem contributors across the globe. Highlights in our new package include enhancements to our energy decomposition analysis (EDA) techniques, updates to the nuclear-electronic orbital (NEO) family of methods, and many other new improvements.