Lecture: Introduction to QM/MM - Third part

Overview

Teaching: 35 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

This lecture is being provided as a pre-recorded presentation.

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

Key Points