New Videos from the Wormit Award Webinar Mini-Symposium

December 18, 2020
Wormit Awards

Watch the videos from our 2020 Wormit Award virtual event presented on December 2, 2020:

New Video: "Chemistry doesn't happen in a vacuum: Bringing advanced solvent environments to Q-Chem for dynamics and more"

December 15, 2020
Webinar 45 Image

Watch Q-Chem's November webinar, "Chemistry doesn't happen in a vacuum: Bringing advanced solvent environments to Q-Chem for dynamics and more," co-presented on November 23, 2020 by Dr. Maximilian Menger (University of Groningen) and Dr. Vale Cofer-Shabica (University of Pennsylvania).

Upgrade Today: Q-Chem 5.3.2 is Released!

December 10, 2020
5.3 Logo

Q-Chem is pleased to introduce our latest release, Q-Chem 5.3.2. Its improved performance means that your computational work will run more efficiently so you can be more productive. The Q-Chem 5.3 release log contains a complete list of improvements in the software.

Any of our customers who have purchased Q-Chem 5.3 are eligible for this upgrade, free of charge. Update your software today!

If you do not have a Q-… Read More

New Video: "PySurf - A Framework for Database Accelerated Direct Dynamics"

November 9, 2020
PySurf image

Watch Q-Chem's October webinar, "PySurf - A Framework for Database Accelerated Direct Dynamics," presented on October 28, 2020 by Dr. Maximilian Menger (University of Groningen).

View our latest webinar: GPU Computing with Q-Chem and BrianQC

August 21, 2020
BrianQC graph

Last week, István Ladjánszki of BrianQC presented our latest webinar, "GPU Computing with Q-Chem and BrianQC."

If you missed it, you can now view it on our YouTube page. Enjoy!

 

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

Call For Nominations: 2023 Michael Wormit Awards

October 17, 2022

We are now accepting nomination submissions for the 2023 Michael Wormit Award. This award recognizes excellence in the development of new methods and algorithms in the area of electronic structure… Read More

Call For Nominations: 2023 Nick Besley Award

October 17, 2022

We are now accepting nomination submissions for the 2023 Nick Besley Award. This award was established to recognize excellence in the development or application of new methods for computational… Read More

Q-Chem Webinar 67: Projection-based Quantum Mechanical Embedding Methods in Q-Chem

October 13, 2022

Modeling of the environment plays an essential role in computational studies of chemical processes in realistic condensed-phase systems. Projection-based embedding theory provides a robust and… Read More

Q-Chem Webinar 66: Decoding chemical information from vibrational spectroscopy data: Local vibrational mode theory

September 7, 2022
Computer surrounded by molecules

Local vibrational mode theory is a useful tool for characterizing chemical bonding and weak chemical interactions, and the open-source program LModeA can help! It’s designed to work with quantum… Read More

Q-Chem 6.0.1 Is Released

August 24, 2022
Q-Chem 6.0 Logo

Q-Chem is pleased to introduce our latest release, Q-Chem 6.0.1. It includes several bugfixes and improvements to the recent 6.0 release. For a full list of updates, fixes, and resolved issues,… Read More