Scientific Computing II - Summer 16
- Summer 2016
- Prof. Dr. Michael Bader
- Time and Place
- Monday 14-16 (MI HS 2); first lecture: Mon, Apr 11
- Computational Science and Engineering, 2nd semester
others: see module description
- Carsten Uphoff, M.Sc.
Tuesdays 10-12, lecture room MI 02.07.023 (from Apr 12)
- written exam, time/day see below
- Semesterwochenstunden / ECTS Credits
- 2V + 2Ü / 5 Credits
- Scientific Computing II
- Extra session for questions: on Tuesday, July 26, in the tutorial slot (10-12 in room MI 02.07.023); opportunity to ask questions on all exam topics covered in the lectures
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
- particle-based modelling (n-body simulation)
- algorithms for efficient force calculation
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 slides will be published here as soon as they become available. For future lectures, the respective slides from summer 2015 will be linked.
- Introduction, Relaxation Methods (Apr 11, 18)
- Multigrid Methods (Part I: Apr 18; Part II: Apr 25, May 2, Part III: May 2, 9)
- Steepest Descent and Conjugate Gradient Methods (Part I&II: May 23, Part III: May 30 & Jun 6)
- Molecular Dynamics:
- Molecular Dynamics (Intro) (Jun 13)
- Molecular Dynamics (Modelling) (Jun 13)
- Molecular Dynamics (Time-Stepping) (Jun 20)
- Molecular Dynamics (Force Computation: Linked Cell, Barnes-Hut, Fast Multipole) (Jun 20, 27; Jul 4)
- additional material: article by Anderson: An implementation of the fast multipole method without multipoles (PDF can be accessed via LRZ proxy or after logging in to TUM's e-library)
See Moodle course.
- Exam Review: Wednesday, Oct 26, 15.00-17.00 (office E.2.048 in Leibniz Supercomputing Centre, Boltzmannstr. 1)
- written exam
- Date: Monday, Oct 10
- Time: 8.00-9.45 - Please make sure to be in the lecture hall by 7.45, as the exam will start precisely at 8.00.
- Place: Interim 2 (black building in front of math/informatics)
- 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!
- 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.