COMPUTATIONAL PHYSICS, SI2530, 7,5 credits, 2014
including applications to chemistry and biology

Preliminary Course PM, (pdf)

Course material
Literature: M.P. Allen and D.J. Tildesley, Computer Simulation of Liquids, Oxford Science publications. Reading guide
The material below is partly from last year. There may be updates but most likely  no big changes.
Monte Carlo lecture notes 2005 (pdf)
Molecular Dynamics lecture notes 2003 (pdf
Computer lab 1, 14/11  PM, MD Argon (pdf),  All files tared (labmdar.tar)
Computer lab 2, 20/11  PM, MD ice/water (pdf),  All files tared (labmdice.tar)
Computer lab 3, 27/11  PM, MC Ising (pdf),  All files tared (labising.tar)
Computer lab 4, 5/12   PM, Brownian dynamics of ratchet (pdf),  All files tared (ratchet.tar)
Computer lab 5, 12/12
Examination projects (pdf ps)
We want the LAB reports within one week and need the last ones no later than December the 20:th!
If you for some reason cannot meet this deadline, send a mail and give a date at which we will have your report.
For the project work, you should aim at finishing them before the teaching starts in period 3 in January.
If you are not able to do that but have time to do things in period 3, please suggest a date yourself.
If you can not find a suitable project among the suggested, please discuss it with me.
Computers, programing languages and other useful links
Introduction to Unix and the the use of computers (in Swedish from NADA)
Elementary indtroductions to Unix can be found at several places on the net. This is one (University of Surrey)
Users guide for Xmgrace, a graphics program
Introductions to matlab can be found at various places. This is one.
A brief fortran course book
Links to other FORTRAN material including a pdf-version of a swedish course book about fortran95
C for those who know Java ( in swedish, NADA)
Home page of Gromacs
Article about ratchets

Snapshot from simulation at atomic scale of a lipid bilayer (cell membrane).


Anatoly Belonoshko
email: anatoly(AT)
phone: 5537 8598

Anatoly Belonoshko 2014-10-27