MOLECULAR DYNAMICS ON THE COMPUTER

(2 Weeks compact course 2005, WS 04/05)

21 357 V/Ü, Introduction to Fortran90 with lectures and computer exercises

Starting date: 14 of March 2005 at 9:00 am

Contents: A crash course in reaction dynamics.

Step by step you will learn the basics of Fortran90 and use it to perform classical trajectory calculations, make little movies out of it and see Polanyi's rules in action!

14.03.05: Lecture notes, UNIX starting kit
15.03.05: vi reference sheet, UNIX reference sheet, gnuplot reference sheet
17.03.05: Ordinary Differential equations (Chapter 16, Sections 0+1)
22.03.05: The .f90 program calculating the LEPS potential, The LEPS potential formula