Q-Chem Webinar

Abstract

In this workshop tutorial, Andrew Gilbert (Q-Chem) gives a crash course in IQmol, Q-Chem's graphical user interface. This tutorial gives a brief overview of building molecules, submitting calculations to the Q-Chem server, and analyzing results. The exercise materials for this workshop tutorial can be found here.

This talk was given as part of the Q-Chem Workshop in the 2024 Virtual Winter School on Computational Chemistry and is reposted with permission.