Lecture: Introduction to QM/MM - Second part

Overview

Teaching: 25 min
Exercises: 0 min

Questions

• Which are the different QM/MM coupling schemes

• What is the electrostatic embedding?

• What is the electron spill-out phenomenon?

• How are treated the QM-MM long-range interactions in CP2K?

Objectives

• Introduction to the different QM/MM coupling schemes and focus on the one implemented in CP2K

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