1 Topic

density functional theory 





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 2h25m minutes for the first part (week 2) and 3h15m 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.

Scroll to Top