NDAA07012U Scientific Computing
MSc Programme in Nanoscience
MSc Programme in Physics
MSc Programme in Physics w. minor subject
This course focuses on the general techniques and ideas found in professionally written numerical software, as well as the general concepts one needs to know for applying suitable software in a qualified manner to computational problems. Thus, the course is aimed much more at potential users of mathematical software than at potential creators of such software.
Skills
At course completion, the student should be able to:
- Choose an appropriate numerical method for the solution of the problem or sub-problem. The numerical method is selected among the methods presented in the course and it should be chosen with respect to the requirements of the model.
- Evaluate the numerical method with respect to potential accuracy, computational efficiency, robustness and memory requirements.
- Perform the required computation using Matlab or similar systems.
- Evaluate the quality of the solution with respect to the accuracy obtained and the sensitivity to model parameter variations.
- Estimate whether the quality of the solution is adequate relative to the desired use of the model.
- Analyse the reasons of a possible total failure of a method applied to a concrete problem.
Competences
The student will be able to use the methods presented in the course to perform numerical analysis of simple mathematical models from science in order to solve concrete problems and to evaluate the results obtained. The solution will mainly be based on Matlab or similar systems.
Knowledge
The student will know about
- simple mathematical models from science and numerical analysis of them.
- ideas behind and motivation for fundamental numerical methods for the solution of: linear and nonlinear equations, linear and nonlinear optimization, eigenvalue problems, initial value problems for ordinary differential equations, partial differential equations and the fast Fourier transform.
See Absalon for final course material. The following is an example of expected course litterature.
Michael T. Heath: Scientific computing. An introductory survey, from McGraw-Hill.
The course assumes programming experience in a language like Matlab, Python (NumPy) or C++
Necessary software:
Windows: Xming
Xming:http://sourceforge.net/projects/xming/ & http://www.straightrunning.com/XmingNotes/
For support please contact SCIENCE IT, e-mail: it-support@science.ku.dk, 35 32 21 00
Linux:X11 runs automatically
MAC: For all systems since OS 10.5 you can use X11, which you can download for free at http://xquartz.macosforge.org/landing/.
X11 is a part of OS X in Leopard and Lion.
- Category
- Hours
- Lectures
- 32
- Practical exercises
- 16
- Preparation
- 58
- Project work
- 100
- Total
- 206
As
an exchange, guest and credit student - click here!
Continuing Education - click here!
- Credit
- 7,5 ECTS
- Type of assessment
- Continuous assessment, during courseIndependent evaluation of 4 projects. The final grade is the average of the grades of each of the 4 projects.
- Aid
- All aids allowed
- Marking scale
- 7-point grading scale
- Censorship form
- No external censorship
More internal examiners
- Re-exam
Oral examination, 30 minutes.
Criteria for exam assesment
See learning outcome
Course information
- Language
- English
- Course code
- NDAA07012U
- Credit
- 7,5 ECTS
- Level
- Full Degree Master
- Duration
- 1 block
- Placement
- Block 1
- Schedule
- A
- Course capacity
- No restriction
- Continuing and further education
- Study board
- Study Board of Physics, Chemistry and Nanoscience
Contracting departments
- The Niels Bohr Institute
- Department of Chemistry
Contracting faculty
- Faculty of Science
Course Coordinators
- Brian Vinter (vinter@nbi.ku.dk)
Lecturers
Kurt Mikkelsen, e-mail: kmi@kemi.ku.dk, tlf.nr.: 3532 0251
James Emil Avery, e-mail: j.avery@nbi.ku.dk