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 more efficiently so you can be more productive.

• Support for meta-GGA density functionals for TDDFT analytic forces and frequencies (with contributions by Narbe Mardirossian)
• Suite of tools for simulating X-ray spectroscopy (XPS, XAS, XES, and RIXS): delta-… 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

Q-Chem Webinar 65: Non-Hermitian Quantum Chemistry Methods in Q-Chem

August 11, 2022
Thomas Jagau in front of a chalkboard

Most quantum chemistry methods assume that all electrons remain bound to the nuclei, but how do we accurately model situations where this isn't the case? The answer can be found in non-Hermitian… Read More

Q-Chem Welcomes Two New Board Members

August 3, 2022
New Q-Chem board members Joonho Lee and Yuezhi Mao

We are delighted to welcome two new members to the Q-Chem board, Dr. Yuezhi Mao and Dr. Joonho Lee. Yuezhi and Joonho are well-known to the Q-Chem developer community for their extensive… Read More

Q-Chem 6.0 Has Been Released!

July 1, 2022
Introducing Q-Chem 6.0

Q-Chem is pleased to introduce our latest release, Q-Chem 6.0. Its improved performance means that your computational work will run more efficiently so you can be more productive.… Read More

Webinar 64: Q-Chem 6 - Dawn of the Next Generation

June 20, 2022
Webinar 62: Q-Chem 6 - Dawn of the Next Generation

Did you miss our latest webinar, "Q-Chem 6 - Dawn of the Next Generation," presented on June 16, 2022 by Prof. Martin Head-Gordon of… Read More