John Herbert - Recipient of 2020 Edward W. Morley Award

Congratulations to Q-Chem developer and Board Member, John Herbert, who is the recipient of the 2020 Edward W. Morley Award from the Cleveland Section of the American Chemical Society!

The award recognizes significant contributions to chemistry through advances in research, teaching, engineering, research administration and public service, outstanding service to humanity, or to industrial… Read More

Q-Chem is Hiring

Q-CHEM IS HIRING: 

Research Associate in Computational Chemistry:

Q-Chem, Inc., is seeking a scientist for a research associate position at its main office in Pleasanton, CA. The successful candidate should have a Ph.D. in theoretical chemistry or a closely-related field, with significant programming experience (C++, Python, Fortran).  Duties will include implementation of novel features,… Read More

Anna Krylov is Awarded the 2020 Earle K. Plyler Prize for Molecular Spectroscopy & Dynamics

Congratulations to Q-Chem President and developer, Anna Krylov, on being awarded the 2020 Earle K. Plyler Prize for Molecular Spectroscopy & Dynamics "For her innovative work developing high accuracy electronic structure theory to inspire interpretation of spectroscopy of radicals, excited states, and ionization resonances in small molecules, biomolecules, and condensed phase solutes."

This award, sponsored by… Read More

Q-Chem Has a New President

We are proud to announce that our board member/developer, Prof. Anna Krylov, has taken the reins as President of Q-Chem. We look forward to much growth and prosperity under her wise leadership!

We would also like to take this time to send out our immense appreciation to our former President, Prof. Peter Gill, for all of his years of excellent service and leadership.

We feel so lucky and honored to have such an amazing team here at Q-Chem. There is none better.

Here's… Read More

Thomas Jagau Receives European Research Council Starting Grant

Congratulations to Q-Chem developer, Thomas Jagau, of the University of Munich, Germany, who has landed a European Research Council 2019 Starting Grant! 

Starting Grants are awarded to early-career researchers of any nationality with two to seven years of experience following completion of their PhD and having a scientific track record that shows great promise. Their research must be conducted in a public or… Read More

Thomas Jagau Awarded the Hellmann-Award

Congratulations to Q-Chem developer, Thomas Jagau, on being awarded the Hans G. A. Hellmann-Prize for Theoretical Chemistry for young German-speaking theoretical chemists!

This award commemorates a pioneer of Quantum Chemistry, Hans G. A. Hellmann (1903 - 1938).  It is periodically awarded to promising young German theoretical chemists to honor their accomplishments.

Prof. Shirin Faraji Joins the Q-Chem Board of Directors

Q-Chem is proud to announce our newest board member, Dr. Shirin Faraji of the University of Groningen.

Welcome, Shirin!

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

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.   

Posted citation reads, "Head-Gordon has advanced quantum chemistry in three critical components - theory, algorithms, and software. This includes major advances in foundational quantum mechanical wavefunction methods, practical density functional theory and the interpretation of quantum… 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"

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 for the calculation of Auger decay rates using equation-of-motion coupled-cluster wave functions: Theory and implementation"

Skomorowski, Wojciech; Krylov, Anna (2020): Feshbach-Fano Approach for Calculation of Auger Decay Rates Using Equation-of-Motion Coupled-Cluster Wave Functions: Theory… Read More

Yuezhi Mao - Winner of the 2020 Michael Wormit Award

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 maintenance, his selfless assistance to other Q-Chem developers, as well as for his important technical contributions.

The Michael Wormit Award was established in 2016 to recognize excellence in the development of new methods and algorithms in electronic structure theory and the… Read More