Materials Simulation Lecture
I gave this guest lecture at the end of Haixuan Xu's (Haixuan Xu) class MSE 613: Simulation and Modeling in MSE I in Spring 2019 at University of Tennessee Knoxville.
Therefore, I expect the reader to know about density functional theory and just introduce here the usage of jupyter notebooks as an option to interact and compare results from calculations.
Plese note that I am using my pyTEMlib only to visualize crystal structures and to load files. So that package is not strictly necessary.
Have Fun,
Gerd