Q-Chem Webinar

2024 VWSCC Session 3: Energy Decomposition Analysis

Presented by Yuezhi Mao on


In this workshop tutorial, Yuezhi Mao (UC San Diego) discusses energy decomposition analysis (EDA) techniques in Q-Chem, including a discussion of the new force decomposition analysis method. 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.

Supporting Material