Q-Chem Webinar

Abstract

In this workshop, Prof. Yuezhi Mao (University of San Diego) discusses energy decomposition analysis (EDA) techniques. His lecture covers both theory and practical applications of EDA in the Q-Chem software package.

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.