S-114.250 - Laskennallisen tieteen erikoiskurssi

S-114.250 - Special topics in computational science

TKK / Yksiköt / LCE / Opetus / Kurssit / S-114.250

The aim of this course is to provide the students with an introduction to selected advanced computer simulation methods commonly used in physics and engineering. In addition to providing the student with an understanding of the simulation methods and their physical and theoretical basis, the course aims to give the student hands on experience in the development and use of computational science software in a teamworking environment. On this occasion the course will focus on free particle based simulation methods, and the application of both molecular dynamics and Monte Carlo methods to these models culminating in the hybridisation of these methods. While the primary focus will be methodology and hands on experience there will be an opportunity, in the final part of the course, to discuss applications to problems in physical chemistry, chemical engineering, and computational systems biology.

The course covers the basic physics concepts behind the course material, many free particle simulations using both molecular dynamics and Monte Carlo, techniques for the optimisation of these simulation methods, introduction to polymer simulation, free particle simulations on parallel architecture, and applications of these simulation methods.

This course is intended for advanced undergraduate or graduate students in physics and engineering. A good knowledge of programming in EITHER C or Fortran 77/90/95 is REQUIRED since I do not have the time or the resources to teach general programming skills as a part of this course, and a working knowledge of basic physics, including newtonian mechanics, thermodynamics and elementary statistical mechanics (statistical thermodynamics) is recommended.

Course times:

Course will be taught during the second half of the spring semester
(March 7th - May 3rd)

Help sessions Monday and Friday 12-15

Course lectures Tuesday and Thursday 12-14,
Change! Due to professional meetings that I must attend the schedule of extra lectures has been changed. Extral lectures will be given on Monday 14th and 21st 12-15h. There will be no lecture/presentation/help session on March 11th 17th 18th and April 1st. What was originally scheduled to be a lecture on March 31st will now be the time for the presentation of the first project plan.

Start date:

Tuesday March 8th 12:00


Register preferably via wwwTopi,or at the first lecture.


Room B317 Innopoli 2, Tekniikantie 14.


Dr. Riku Linna
Helsinki University of Technology
Laboratory of Computational Engineering
P.O.Box 9203, FIN-02015 HUT
email: linna@lce.hut.fi
phone: 5727

Comments/questions/suggestions? Mail to bunker@lce.hut.fi
Last updated Feb. 15, 2005