Syllabus for Roster(s):

  • 18F ECE 6501-008 (ENGR)
  • 18F MAE 4503-001 (ENGR)
  • 18F MAE 6592-002 (ENGR)
  • 18F PHYS 3559-001 (CGAS)
  • 18F PHYS 5559-001 (CGAS)
In the UVaCollab course site:   DFT-Fall18

Course Description (for SIS)

This is a hands on course about the computation of electronic properties of molecules and solids using the density functional theory (DFT). The goal is to learn how to use a DFT code such as Quantum Espresso (QE) and produce reliable results. Students pick a material of their choice and study during the course of the semester its various properties using a DFT code. They report their methods and findings to the rest of the class at the end of the semester.