Prof. Joseph Subotnik Elected APS Fellow

May 1, 2020
Prof. Joe Subotnik

Congratulations to Q-Chem developer, Prof. Joseph Subotnik of the University of Pennsylvania, who has been elected 2020 APS Fellow.

The citation for this reads, "For pioneering advances in understanding the nature of nonadiabatic processes and merging electronic structure with chemical dynamics, advances that have allowed us to better model photo-induced processes and dissipation at metal-molecule… Read More

Joonho Lee Awarded the 2020 Justin Jankunas Doctoral Dissertation Award

April 15, 2020
Joonho Lee

Dr. Joonho Lee earned his B.S. in chemistry and physics in 2013 from Pohang University of Science and Technology, South Korea. He then moved to the United States to study as a Kwanjeong Educational Foundation fellow at Caltech where he earned his M.S. in chemistry under Prof. Thomas F. Miller III. Subsequently, he moved to UC Berkeley in 2015 and completed his Ph.D. work in chemistry in 2019 under Prof. Martin P. Head-Gordon.

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Prof. Martin Head-Gordon Wins the 2020 Schrödinger Medal of WATOC!

February 15, 2020
Prof. Martin Head-Gordon

Q-Chem developer and Scientific Advisor, Martin Head-Gordon, has been informed that he is to receive the 2020 Schrödinger Medal of WATOC.  This is awarded every year to one "outstanding theoretical and computational chemist."

The medalist is selected by the WATOC Board through an electronic ballot.  WATOC members can suggest candidates by email… Read More

John Herbert - Recipient of 2020 Edward W. Morley Award

January 27, 2020
Morley Medal image

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

November 1, 2019
Q-Chem Chemists

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

September 30, 2019
Anna Krylov Picture

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

September 30, 2019
Peter and Anna working at Berkeley Developer workshop.

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

September 30, 2019
Chem Unbound Electrons

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

September 26, 2019
Thomas Jagau -Hellmann-Prize

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

July 27, 2019
Shirin Faraji pic

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

Welcome, Shirin!

Webinar 56: Evaluating Oxidation States in Challenging Organometallic Complexes: What are the Electrons Doing?

August 31, 2021
Ferrocene with localized orbitals

Did you miss our webinar, "Evaluating Oxidation States in Challenging Organometallic Complexes: What are the Electrons Doing?" presented by Prof. Martin Head-Gordon?

The recording of this… Read More

Hot Off The Press: The Q-Chem 5 Paper!

August 24, 2021
Q-Chem 5.4 paper is out

We are very pleased to announce that the Q-Chem 5 paper has officially been published! This paper covers all of the most recent advances in Q-Chem, including discussion of several new many-body… Read More

Q-Chem 55: Special Webinar Event: Teaching with Q-Chem

August 18, 2021
Molecule

Did you miss our last webinar, "Special Webinar Event: Teaching with Q-Chem"? It is jam-packed with tips and useful tools that will help you to use Q-Chem in your classroom, and you can now view… Read More

Q-Chem 5.4.1 Has Been Released!

August 16, 2021
Q-Chem 5.4 logo over a cube-shaped lattice structure

Q-Chem is pleased to announce the release of Q-Chem 5.4.1! This provides many improvements to our most recent release, including some new features. A comprehensive list of improvements, resolved… Read More

Webinar 54: Computationally Efficient Approaches to Vibronic Electronic and Resonant Raman Scattering Spectra

July 28, 2021
Vibronic Electronic and Resonant Raman Scattering Spectra

VIDEO IS COMING SOON!  Webinar 54:  "Computationally Efficient Approaches to Vibronic Electronic and Resonant Raman Scattering Spectra," was presented on July 28th.