Scientific Computing II - Summer 16: Difference between revisions

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| tutorials = [[Carsten Uphoff, M.Sc.]] <br> time/day t.b.a. <!-- Tuesdays 10-12, lecture room MI 02.07.023 (from Apr 21), <br/>First Tutorial: Apr 17 (Fri, 12-14)-->
| tutorials = [[Carsten Uphoff, M.Sc.]] <br> time/day t.b.a. <!-- Tuesdays 10-12, lecture room MI 02.07.023 (from Apr 21), <br/>First Tutorial: Apr 17 (Fri, 12-14)-->
| exam = written exam, time/day t.b.a. <!-- Fri, Oct 2, 08.30-10.15 (Interim 2) -->
| exam = written exam, time/day t.b.a. <!-- Fri, Oct 2, 08.30-10.15 (Interim 2) -->
| tumonline = [https://campus.tum.de/tumonline/LV.detail?clvnr=950238630 Scientific Computing II] (still summer 2015!)
| tumonline = [https://campus.tum.de/tumonline/LV.detail?clvnr=950238630 Scientific Computing II]
}}
}}



Revision as of 16:02, 27 February 2016

Term
Summer 2016
Lecturer
Prof. Dr. Michael Bader
Time and Place
Monday 14-16 (MI HS 2); first lecture: Mon, Apr 11
Audience
Computational Science and Engineering, 2nd semester
others: see module description
Tutorials
Carsten Uphoff, M.Sc.
time/day t.b.a.
Exam
written exam, time/day t.b.a.
Semesterwochenstunden / ECTS Credits
2V + 2Ü / 5 Credits
TUMonline
Scientific Computing II



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.

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. Cambridge University Press, 1995.