Prof. Martin Head-Gordon elected to Royal Society of the UK

June 7, 2019
Royal Academy of Science

Congratulations to Q-Chem Advisor and developer, Prof. Martin Head-Gordon, of the University of California at Berkeley, on being elected to the extremely prestigious Royal Society of the UK.   … Read More

Publication by Q-Chem Developers: "Feshbach-Fano Approach for Calculation of Auger Decay Rates Using Equation-of-Motion Coupled-Cluster Wave Functions: Theory and Implementation"

November 15, 2020
Types of Auger effects

Congratulations to Wojciech Skomorowski and Anna I. Krylov on their new theory for calculating Auger decay rates using equation-of-motion coupled-cluster wave-functions, "Feshbach-Fano approach… Read More

Yuezhi Mao - Winner of the 2020 Michael Wormit Award

July 1, 2020
Yuezhi Mao

Congratulations to the 2020 Michael Wormit Award winner, Yuezhi Mao.  Dr. Mao is recognized for his unparalleled work on Q-Chem's infrastructure, his commitment to code… Read More

Pavel Pokhilko - Winner of the 2020 Michael Wormit Award

July 1, 2020
Pavel Pokhilko

Congratulations to the 2020 Michael Wormit Award winner, Pavel Pokhilko. Dr. Pokhilko has made substantial contributions to the base Q-Chem code and has been actively… Read More

Introducing Q-Chem 5.3!

June 18, 2020
Q-Chem 5.3 logo

 

We are pleased to announced our latest release:  Q-Chem 5.3!  Its improved performance means that your computational work will run… Read More