Molecular modelling of crystal structures
a hands-on course
Note: in order to get 'studie points' for this course, you will need to hand in a short report that shows your answers/solutions to the excercises. The questions to be answered are in
red
part 0:
getting started
part 1:
Calculations on structures from the CSD
part 2:
Manipulating crystal structures in Cerius
2
part 3:
More advanced simulations
part 4:
Analysis of results; scripts