Lecture: Introduction to QM/MM - Third part

Overview

Teaching: 30 min
Exercises: 0 min

Questions

• What is the difference between GGA and hybrid exchange-correlation functionals?

• What are the Grimme dispersion corrections?

• What are the pseudopotentials

• How to choose the basis set in CP2K?

Objectives

• Provide more insights on selected quantum chemistry topics essential to understand some details in the practicals

Video, slides and notes

The video recording for this lecture can be found here.

The slides of the lecture can be found here.
The notes with the audio transcription of the lecture are available here.

Key Points