Scientific Computing II - Summer 18
- Summer 2018
- Prof. Dr. Michael Bader
- Time and Place
- Tuesday 10-12 (MI HS 2); first lecture: Tue, Apr 10
- Computational Science and Engineering, 2nd semester
others: see module description
- Carsten Uphoff, M.Sc., Nikola Tchipev, M.Sc.,
Friday 14-16, lecture room MI HS 2 (starts April 13)
- written exams (Aug 2 and Oct 10)
- Semesterwochenstunden / ECTS Credits
- 2V + 2Ü / 5 Credits
- Scientific Computing II
- on Fri, Jul 27 (14-16, MI 02.07.023), there will be a questions&answers session about the exam topics (lecture only)
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. For future lectures, the respective slides from summer 2017 will be linked.
- Introduction, Relaxation Methods (Apr 10, 17)
- Multigrid Methods (Part I: Apr 17; Part II: Apr 20,24; Part III: May 15, 25)
- Steepest Descent and Conjugate Gradient Methods (Part I&II: May 25, 29, Part III: May 29, Jun 5)
- Molecular Dynamics:
- Molecular Dynamics (Intro) (Jun 12)
- Molecular Dynamics (Modelling) (Jun 12)
- Molecular Dynamics (Time-Stepping) (Jun 19)
- Molecular Dynamics (Force Computation: Linked Cell, Barnes-Hut, Fast Multipole) (Jun 26; Jul 3, 10)
- 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)
- written exam (regular and repeat), working time: 105 minutes
- 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!
First Exam: Thursday, Aug 2
- Exam Review: Monday, Aug 27, 14.00-16.00; room: SCCS chair, printer room (glass box, directly after second door in 5th hallway on the second floor)
- Time: 11.00-12.45 - Please make sure to be in the lecture hall by 10.45, as the exam will start precisely at 11.00.
- Place: PH 2501 (Rudolf-Mößbauer-Hörsaal)
Second Exam: Wednesday, Oct 10
- Time: 16.00-17.45 - Please make sure to be in the lecture hall by 15.45, as the exam will start precisely at 16.00.
- Place: Interim 2
- 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.
- R. Beatson, L. Greegard. A short course on fast multipole methods (lecture script)