
Becs114.1100 Computational Science (5 credit points)



All material will be uploaded in Noppa, see
Noppa page
Please note that the exercise assignments where no points are indicated or where it reads '0 points' means that they will not be graded and you are not expected to return them. They are there just for you edification.
Exams
Here's a sample exam for you to roughly know what to expect. Sample.
Contents
Introduction to numerical mathematics and modeling. Numerical interpolation, curve fitting,
integration and optimization. Data fitting and filtering. Solving systems of linear equations.
Basics of the Monte Carlo method. Computer exercises.
Schedule
Autumn semester 2014
 Lectures: Tuesdays 10.1512, Auditorium, the Old Technical Physics
Building
(1st lecture Tue 9.9.)
 Exercises: A twohour demo session once a week in computer classroom MaariB in
Maarintalo building.
11.9.4.12.13.: Thursdays 08:1510:00
 Exams: First chance: Wednesday 10.12. 912 am, 213a (Konetekniikka 1). Next chance: Tuesday 13.01.15. 47 pm, 215 (Konetekniikka 1).
Language
All the course material (lecture notes, exercise papers, etc) are in
English. Depending on the participants, the lectures will be given in
Finnish or English.
Registration
Use WebOodi to register for the course
(lectures only, no registration for the exercise groups).
Requirements
To pass the course, both of the following requirements must be fulfilled:
 Exercises: at least 1/3 of the exercise points must be obtained. For
further instructions, see here.
 Final exam: at least 50% of the total points.
Grading
After you have hauled up the 1/3 of the exercise points, you start
gathering them for the exam. You do not need the extra exercise points
to get the maximum grade. However, at most one problem out of total of five can
be compensated with maximum exercise points.
Lectures  Autumn 2013 (preliminary schedule)
 Lecture 1 Introduction / Number representation and errors
 Lecture 2 Locating roots of equations
 Lecture 3 Polynomial interpolation & numerical differentiation
 Lecture 4 Numerical integration
 Lecture 5 Systems of linear equations
 Lecture 6 Spline functions
 Lecture 7 Smoothing of data and the method of least squares
 Lecture 8 Random numbers
 Lecture 9 Monte Carlo I
 Lecture 10 Monte Carlo II
 Lecture 11 Monte Carlo III
Parts of the Monte Carlo stuff may be replaced with molecular dynamics.
Course Material
All the material will be uploaded in Noppa, see
Noppa page
Additional material (textbooks)
Numerical Mathematics and Computing,
4th edition, W. Cheney and D. Kincaid, Brooks/Cole (1999).
(Ch. 17, 1011.)
The course covers chapters 17 plus something else.
Numerical Recipes in C or FORTRAN,
W. H. Press, S. A. Teukolsky, W. T. Vetterling, Brian P. Flannery,
Cambridge University Press (19931997).
BOOKS ONLINE (Cornell University Library)
"The guide" of numerical analysis.
A Guide to Monte Carlo Simulations in Statistical Physics,
D. P. Landau and K. Binder, Cambridge University Press (2000).
A good textbook for those interested in MC methods.
Monte Carlo simulation in statistical physics : an introduction
K. Binder, D. W. Heermann, Springer (2002).
Another good Monte Carlo guide.
Understanding molecular simulation : from algorithms to applications
Daan Frenkel, Berend Smit, Academic Press (2002)
An extensive guide to MC and MD methods (applied to molecular simulation).
These are just suggestions. There are lots of other good books available too.
For example, try the following key words
in the HUT library search:
 numerical analysis (introduction)
 scientific computing
Links
CSC Center for Scientific Computing
Info on scientific computing.
Further Information
Lecturer:
Dr. Riku Linna