2023 VWSCC: Session 04 — Geometry Optimization In Q-Chem

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. This workshop session is paired with a lab exercise, available here: https://drive.google.com/drive/u/0/fo... This talk was given as part of the Q-Chem Workshop in the 2023 Virtual Winter School In Computational Chemistry and is reposted with permission. View the full workshop program here: https://winterschool.cc/program-2023?...