Anna Krylov is elected as a Fellow of the Royal Society of Chemistry

April 26, 2021
Royal Society of Chemistry logo

It has been announced that Q-Chem President and developer, Prof. Anna Krylov, has been elected as a Fellow of the Royal Society of Chemistry.  Congratulations, Anna!

Webinar 49: Ab-Initio Frenkel Davydov Exciton Model _ A tool to investigate collective excitations in extended systems

April 6, 2021
Webinar 49

Watch Q-Chem's Webinar 49, "Ab-Initio Frenkel Davydov Exciton Model: A tool to investigate collective excitations in extended systems," presented on March 31st by Bushra Alam, Ohio State University.

Summer at Q-Chem 2021 - Now Accepting Applications

March 4, 2021
SummerAtQChem

Q-Chem has announced that it is now taking applications for its 2021 Summer at Q-Chem programClick here to find out more about this year's program and to find out the application procedures.  Application is open to graduate students and postdocs who are members of the Q-Chem developer community.

Congratulations to Marta Lopez Vidal: The 2021 Michael Wormit Award Winner!

March 3, 2021
Marta Lopez Vidal

Q-Chem is pleased to announce that Marta Lopez Vidal has been chosen as a recipient of the 2021 Michael Wormit Award, on the basis of her scientific innovation, her wealth of exciting new ideas, her impressive code development, and the breadth of her contributions to Q-Chem's infrastructure and to the Q-Chem developers' community.

The Michael Wormit award was established to recognize excellence in the development of new methods and algorithms in the area… Read More

Webinar 48: The ezSpectra Suite: An easy-to-use Toolkit for Spectroscopy Modeling

February 24, 2021
ezSpectra Suite image

Watch Q-Chem's Webinar 48, "The ezSpectra Suite: An easy-to-use Toolkit for Spectroscopy Modeling," presented on March 3, 2021 by Dr. Samer Gozem (Georgia State University).

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!

 

Call for Nominations: 2022 Nick Besley Award

November 1, 2021
Prof. Nick Besley

We are now accepting nomination submissions for the 2022 Nick Besley Award. This award recognizes excellence in the development or application of new methods for computational spectroscopy in the… Read More

Call for Nominations: 2022 Michael Wormit Award

November 1, 2021
Michael Wormit

We are now accepting nomination submissions for the 2022 Michael Wormit Award. This award recognizes excellence in the development of new methods and algorithms in the area of electronic structure… Read More

Announcing, Q-Chem's Annual Fall Sale

November 1, 2021
QChem Nov Sales Banner-Square

It's the best time of the year to purchase a Q-Chem license! During our November Fall sales event, a 12% discount will be applied to all license orders and license upgrades placed by… Read More

Webinar 58: Geometry optimizations and AIMD simulations of molecules under pressure

October 28, 2021
Geometry optimization - AIMD Simulation of molecules

Did you miss our latest webinar, "Geometry optimizations and AIMD simulations of molecules under pressure, by Prof. Tim Neudecker (aka Tim Stauch) of University of Bremen, Germany? Now you can… Read More

Webinar 57: Reduced-density-matrix-based methods in Q-Chem for strongly-correlated electrons

September 30, 2021
Polyradical character of graphene nanoribbons

Webinar 57, "Reduced-density-matrix-based methods in Q-Chem for strongly-correlated electrons," presented by Prof. Eugene DePrince of Florida State University on September 30th is now available to… Read More