Scientific Computing II - Summer 14
- Summer 2014
- Prof. Dr. Michael Bader
- Time and Place
- Tuesday 10-12, lecture room MI 02.07.023
First Lecture: Apr 8
- Computational Science and Engineering, 2nd semester
others: see module description
- Kaveh Rahnema
Monday 10-12, lecture room MI 02.07.023,
First Tutorial: April 14
- repeat exam review: Tue, Oct 21, 13.30-14.30 at LRZ in room E.2.040
- Semesterwochenstunden / ECTS Credits
- 2V + 2Ü / 5 Credits
- Scientific Computing II
- on June 16, we will restart with a lecture (which replaces the usual tutorial)
- 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!
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
- 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
- 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.
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/