"Introduction to IQmol: Exploring potential energy surfaces"




Description: Students learn how to build molecules and perform basic electronic structure calculations using IQmol and Q-Chem while reviewing the key concepts of potential energy surfaces (stationary points, minima, saddle points) and their relation to stable molecular structures and transition states.

Suggested level: Beginning graduate

Learning objectives: Learn how to build and manipulate molecules; understand concepts of stable molecular structures, transition states, and reaction coordinates; learn basic standards of reporting electronic structure calculations.