Scientific Computing II - Summer 14
- Term
- Summer 2014
- Lecturer
- Prof. Dr. Michael Bader
- Time and Place
- Tuesday 10-12, lecture room MI 02.07.023
First Lecture: Apr 8 - Audience
- Computational Science and Engineering, 2nd semester
others: see module description - Tutorials
- Kaveh Rahnema
Monday 10-12, lecture room MI 02.07.023,
First Tutorial: April 14 - Exam
- repeat exam review: Tue, Oct 21, 13.30-14.30 at LRZ in room E.2.040
- Semesterwochenstunden / ECTS Credits
- 2V + 2Ü / 5 Credits
- TUMonline
- Scientific Computing II
Contents
Announcements
- on June 16, we will restart with a lecture (which replaces the usual tutorial)
Repeat Exam
- written exam
- Date: Wed, Oct 1
- Time: 13.30-15.00 - Please make sure to be in the seminar room by 13:15, as the exam will start precisely at 13.30.
- Place: MI 02.07.023
- Duration: 90 min.
- material: no helping material of any kind is allowed during the exam
- Topics: everything that was covered in the lectures and tutorials
Please make sure that you are registered for the exam via TUMOnline!
Old exams are available on the websites of the last years (note that the curriculum of the lecture has slightly changed since then!): [1] [2] [3]
Contents
This course provides a deeper knowledge in two important fields of scientific computing:
- iterative solution of large sparse systems of linear equations:
- 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 students in computer science, mathematics, or some field of science or engineering who already have a certain background in the numerical treatment of (partial) differential equations.
Lecture Notes and Material
Literature
- William L. Briggs, Van Emden Henson, Steve F. McCormick. A Multigrid Tutorial. Second Edition, SIAM, 2000 (available as eBook in the TUM library)
- Ulrich Trottenberg, Cornelis Oosterlee, Anton Schüller. Multigrid. Elsevier, 2001 (available as eBook in the TUM library)
- J.R. Shewchuk. An Introduction to the Conjugate Gradient Method Without the Agonizing Pain (download as PDF). 1994.
- V. Eijkhout: Introduction to High-Performance Scientific Computing (textbook, available as PDF on the website)
- M. Griebel, S. Knapek, G. Zumbusch, and A. Caglar. Numerical simulation in molecular dynamics. Springer, 2007 (available as eBook in the TUM library)
- 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 Applications. 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.
Further Material
Annotated slides for the lecture in summer 2010 /(given by Dr. Tobias Weinzierl) are available from the TeleTeachingTool Lecture Archive
Matlab (together with installation instructions) is available from https://matlab.rbg.tum.de/