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

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