Join us for our next Q-Chem webinar (Webinar 77), to be presented by Aniket Mandal on October 24! Aniket will discuss his recent work on the semi-empirical DFT/CIS implementation in Q-Chem, including a new parameterization designed for X-ray spectroscopy. Register for the webinar here.

Time-dependent density functional theory (TD-DFT) within a restricted excitation space is used as an efficient and reasonably… Read More

The 2024 Fall Q-Chem User Workshop took place in person on the morning of October 13th from 9AM to 1PM at Huanghai Hotel, before the beginning of the ISTCP conference in Qingdao, China. This free workshop provided an introduction to several basic features within the Q-Chem software package, and included several hands-on exercises using IQmol, Q-Chem's free molecule visualizer and job server.

For those who couldn't make it in person, … Read More

Q-Chem is now accepting nominations for the 2025 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 includes a certificate and $500 prize, as well as an invitation to present a special Q-Chem webinar on the recipient's work. It commemorates the contributions of Dr. Michael Wormit, who is remembered for his state-of-… Read More

Q-Chem is now accepting nominations for the 2025 Nick Besley Award!

This annual award recognizes excellence in the development or application of new methods for computational spectroscopy in the Q-Chem open-teamware community project. It includes a certificate and a $500 prize, as well as an invitation to give a Q-Chem webinar on the recipient's work. The award commemorates the contributions of Prof. Nick Besley, who is remembered for his multi-faceted contributions to excited-state… Read More