Q-Chem Webinar

Abstract

In this workshop session, Peter McLaughlin (Q-Chem) gives an overview of geometry optimization. His lecture focuses on practical aspects of running geometry optimization calculations in Q-Chem.

There is a lab section associated with this workshop. Please find the relevant lab materials (a PDF with instructions, along with sample input/output files) on Google Drive here.

This talk was given as part of the 2023 VWSCC Q-Chem Workshop and is reposted here with permission.