Scientific Computing II - Summer 18: Difference between revisions
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| term = Summer 2018 | | term = Summer 2018 | ||
| lecturer = [[Michael Bader|Prof. Dr. Michael Bader]] | | lecturer = [[Michael Bader|Prof. Dr. Michael Bader]] | ||
| timeplace = | | timeplace = Tuesday 10-12 (MI HS 2)<!--; first lectures: Mon, Apr 9, and Tue, Apr 10 (in tutorial slot)--> | ||
| credits = 2V + 2Ü / 5 Credits | | credits = 2V + 2Ü / 5 Credits | ||
| audience = Computational Science and Engineering, 2nd semester <br> others: [https://campus.tum.de/tumonline/WBMODHB.wbShowMHBReadOnly?pKnotenNr=476730&pOrgNr=14189 see module description] | | audience = Computational Science and Engineering, 2nd semester <br> others: [https://campus.tum.de/tumonline/WBMODHB.wbShowMHBReadOnly?pKnotenNr=476730&pOrgNr=14189 see module description] | ||
| tutorials = [[Carsten Uphoff, M.Sc.]], [[Nikola Tchipev, M.Sc.]], time | | tutorials = [[Carsten Uphoff, M.Sc.]], [[Nikola Tchipev, M.Sc.]], time <br> Friday 14-16, lecture room MI HS 2 <!--(from April 16)--> | ||
| exam = written exam, time/day see below | | exam = written exam, time/day see below | ||
| tumonline = [https://campus.tum.de/tumonline/wbLv.wbShowLVDetail?pStpSpNr= | | tumonline = [https://campus.tum.de/tumonline/wbLv.wbShowLVDetail?pStpSpNr=950349327 Scientific Computing II] | ||
}} | }} | ||
Revision as of 15:49, 26 March 2018
- Term
- Summer 2018
- Lecturer
- Prof. Dr. Michael Bader
- Time and Place
- Tuesday 10-12 (MI HS 2)
- Audience
- Computational Science and Engineering, 2nd semester
others: see module description - Tutorials
- Carsten Uphoff, M.Sc., Nikola Tchipev, M.Sc., time
Friday 14-16, lecture room MI HS 2 - Exam
- written exam, time/day see below
- Semesterwochenstunden / ECTS Credits
- 2V + 2Ü / 5 Credits
- TUMonline
- Scientific Computing II
Announcements
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
- preconditioning
- molecular dynamics simulations
- particle-based modelling (n-body simulation)
- algorithms for efficient force calculation
- parallelisation
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
Lecture slides will be published here. For future lectures, the respective slides from summer 2017 will be linked.
- Introduction, Relaxation Methods (Apr 24, 25)
- Multigrid Methods (Part I: Apr 25; Part II: May 8,15 Part III: May 15, 22)
- some multigrid animations (more peas!)
- if you're interested: On the history of the Multigrid method creation (website article by R.P. Fedorenko)
- Steepest Descent and Conjugate Gradient Methods (Part I&II: May 29, Part III: Jun 12, 19)
- additional material: Maple worksheet quadratic_forms.mws, also as PDF
- additional material: Maple worksheet conjugate_gradient.mws, also as PDF
- Molecular Dynamics:
- Molecular Dynamics (Intro) (Jun 19)
- Molecular Dynamics (Modelling) (Jun 26)
- Molecular Dynamics (Time-Stepping) (Jul 3)
- Molecular Dynamics (Force Computation: Linked Cell, Barnes-Hut, Fast Multipole) (Jul 3, 10, 17)
- 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)
Exercises
See the Moodle course.
Exams
- written exam (regular and repeat)
- 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!
Old exams are available on the websites of the last years (note that the curriculum of the lecture has slightly changed since then!): [1] [2] [3]
Second Exam
First Exam
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.
- R. Beatson, L. Greegard. A short course on fast multipole methods (lecture script)