Lecture: Introduction to QM/MM - First part

Overview

Teaching: 30 min
Exercises: 0 min

Questions

• What is CP2K?

• Why do we want to use Quantum Mechanics?

• What is DFT?

• How can we map a quantum chemistry computation on a computer?

• What is QM/MM?

Objectives

• Short recap of computational quantum chemistry concepts that will be useful during this course

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