Introduction to Scientific Computing II - Summer 11
- Term
- Summer 11
- Lecturer
- Dr. rer. nat. habil. Miriam Mehl, Univ.-Prof. Dr. Hans-Joachim Bungartz
- Time and Place
- Tuesday 8:15-10:00, lecture room MI 02.07.023
First Lecture: May 3 - Audience
- Computational Science and Engineering, 2nd semester (Module IN2141)
- Tutorials
- Wolfgang Eckhardt
Monday 9:00-9:45, lecture room MI 02.07.023,
First Tutorial: May 9 - Exam
- written exam
- Semesterwochenstunden / ECTS Credits
- 2V + 1Ü / 4 Credits
- TUMonline
- {{{tumonline}}}
Announcements
Contents
This course provides a deeper knowledge in two important fields of scientific computing:
- solution of large sparse systems of linear equations:
- Gaussian elemination
- relaxation methods
- multigrid methods
- steepest descent
- conjugate gradient methods
- molecular dynamics simulations
- the physical model
- the mathematical model
- approximations and discretization
- implementational aspects
- parallelisation
- examples of nanofluidic simulations
The course is conceived for computer scientists, mathematicians, engineers, or natural scientists with already a background in the numerical treatment of (partial) differential equations.
Lecture Notes and Material
Annotated slides are available from the TeleTeachingTool Lecture Archive
lecture | material | tutorial | exercise | matlab |
May 03 | Slides | May 09 | Towards Multigrid Matlab Slides |
Code Tutorial Two-Grid-Solver |
May 10 | Slides Notes |
May 16 | Anisotropic Multigrid Slides |
interpolate_4h.m restrict_4h.m restrict_fw.m Solution Ex. 1 |
May 17 | Slides Notes Fourier Analysis Two Grid Method |
May 23 | Steepest Descent / CG | Anisotropic MG Solution |
May 24 | Slides Notes |
May 30 | Parallel MG / SD / CG | |
May 31 | Slides Notes |
June 6 |
Exam
Literature
- William L. Briggs, Van Emden Henson, Steve F. McCormick. A Multigrid Tutorial. Second Edition. SIAM. 2000.
- J.R. Shewchuk. An Introduction to the Conjugate Gradient Method Without the Agonizing Pain. Edition 1.25. 1994.
- M. Griebel, S. Knapek, G. Zumbusch, and A. Caglar. Numerische Simulation in der Molekulardynamik. Springer, 2004.
- M. P. Allen and D. J. Tildesley. Computer Simulation of Liquids. Oxford University Press, 2003.
- D. Frenkel and B. Smith. Understanding Molecular Simulation from Algorithms to ASpplications. Academic Press (2nd ed.), 2002.
- R. J. Sadus. Molecular Simulation of Fluids; Theory, Algorithms and Object-Orientation. Elsevier, 1999.
- D. Rapaport. The art of molecular dynamics simulation. Camebridge University Press, 1995.