quick start

2 Topics
setting the stage

11 Topics
density functional theory

24 Topics
crystallography

8 Topics
geometry optimization

18 Topics
electronic structure

9 Topics
chemical bonding

7 Topics
elasticity

9 Topics
precision and accuracy

6 Topics
phonons and temperature

4 Topics
band gaps

2 Topics
let’s play!

17 Topics
project

8 Topics
If you follow this course in sync with the live feedback webinars (September-December), then this chapter is your main content for week 1 of the fall term (see the due dates).

Going thoroughly through this chapter, will take you about 2^{h}25^{m} minutes for the first part (week 2) and 3^{h}15^{m} minutes for the second part (week 3). Don’t forget to look at the hands-on items for these weeks afterwards (let’s play).

In the hands-on part (project), you will make your first basic DFT calculations and learn how to make sure that these are numerically sound. The project topic will be presented, and you have the chance to sign up for a project team.

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