This site is a collection of information, tutorials, and educational materials on density functional theory (DFT) produced by the Penn State Computational Materials Education and Training (CoMET) group. While the group has many students that participate, this web page is produced by a subset of the group over coffee (hence the references to cafe). The site currently has three main sections

 

  1. A field guide to DFT, where a user can quickly explore troublesome topics for DFT simulations and learn where they become important and ways to avoid the issue.
  2. General topics about DFT. One main purpose of the CoMET group is to provide a set of unified educational resources that will be beneficial to all research areas that use DFT.
  3. Tutorials for different programs and simulation types including capstone projects made by users of the group.