Density Functional Theory

Timetable

      Morning Session

 9:00       Applications of Density Functional Theory

 9:45       Materials Studio Demo and Practical

10:15      Introduction to Density Functional Theory

10:45      Practical: DFT Geometry Optimisation and Phase Stability of TiO2

11:15      Practical Option 1: Phonon Dispersion in NaH

               Practical Option 2: Magnetic Structure of MnO

12:30      Lunch

 

      Afternoon Session

13:30       Applications of Density Functional Theory

14:15       Materials Studio Demo and Practical

14:45       Introduction to Density Functional Theory

15:15       Practical: DFT Geometry Optimisation and Phase Stability of TiO2

15:45       Practical Option 1: Phonon Dispersion in NaH

                Practical Option 2: Magnetic Structure of MnO

17:00       Close

Skip to the top of the page