Introduction to Scientific Computing II - Summer 11

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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
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Announcements

Exam

  • written exam

http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss11/exam.pdf

  • Date: Sat., 6th Aug. 2011
  • Time: 15:00 - 16:30
  • Place: MW 1050 (Johann-Bauschinger Zeichensaal in the building of mechanical engineering)
  • Duration: 90 min.
  • auxiliary material allowed:
    • one hand-written sheet of paper (Din A4), written on both sides
    • a dictionary (paper book)
    • You are not allowed to use any other tools / devices (e.g. electronic dictionaries)

Please make sure that you are registered for the exam via TUMOnline!

Old exams are available on the websites of the last years:

http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss10/exam.pdf

http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss08/exam.pdf

http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss07/exam.pdf

The date for the review of the exam is:

  • September 6 2011, 15:00
  • room: MI 02.07.023

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
Full Weighting
May 16 Anisotropic Multigrid
Slides
Code Tutorial: Anisotropic MG
interpolate_4h.m 
restrict_4h.m
restrict_fw.m


homework 1 solution

May 17 Slides
Notes
Fourier Analysis Two Grid Method
May 23 Steepest Descent / CG homework 2 solution



Main

May 24 Slides
Notes
May 30 Parallel MG / SD / CG
May 31 Slides
Notes
June 6 slides
PCG
homework 3 solution
given main
June 7 Slides
Notes
June 13 no tutorial!!
June 14 no lecture! June 20 slides homework 5 solution
June 21 Literature
slides
June 27 Exercise A
Slides
June 28 July 4 Exercise B
slides
July 5 Questions July 11 Exercise C
slides
July 12 July 18 Exercise D
slides

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.