Scientific Computing II - Summer 15: Difference between revisions
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| term = Summer 2015 | | term = Summer 2015 | ||
| lecturer = [[Michael Bader|Prof. Dr. Michael Bader]] | | lecturer = [[Michael Bader|Prof. Dr. Michael Bader]] | ||
| timeplace = Monday 14.30-16.00, lecture room MI HS 2<br/>First Lecture: Tue, Apr 14, MI 00.08.038 | | timeplace = Monday 14.30-16.00, lecture room MI HS 2 <!-- <br/>First Lecture: Tue, Apr 14, MI 00.08.038 --> | ||
| 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 = [[Arash Bakhtiari]] <br> Tuesdays 10-12, lecture room MI 02.07.023, <br/>First Tutorial: Apr 17 | | tutorials = [[Arash Bakhtiari]] <br> Tuesdays 10-12, lecture room MI 02.07.023 (from Apr 21), <br/>First Tutorial: Apr 17 (Fri, 12-14) | ||
| exam = written | | exam = repeat exam (written): Fri, Oct 2, 08.30-10.15 (Interim 2) | ||
| tumonline = [https://campus.tum.de/tumonline/LV.detail?clvnr=950181823 Scientific Computing II] | | tumonline = [https://campus.tum.de/tumonline/LV.detail?clvnr=950181823 Scientific Computing II] | ||
}} | }} | ||
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= Announcements = | = Announcements = | ||
* lecture on Friday, Apr 24, 12.15-13.45: in lecture hall MI HS 3 (replaces the lecture on Mon, Apr 27) | * lecture on Friday, Apr 24, 12.15-13.45: in lecture hall MI HS 3 (replaces the lecture on Mon, Apr 27) | ||
* '''change of tutorial:''' the tutorial slot will move from Wed to Tue 10-12 in seminar room MI 02.07.023 | |||
* '''change of lecture:''' the lecture slot will move from Tue 10-12 to Mon 14.30-16.00 and into lecture hall MI HS 2 | * '''change of lecture:''' the lecture slot will move from Tue 10-12 to Mon 14.30-16.00 and into lecture hall MI HS 2 | ||
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* due to a short holiday (Whit Monday/Pentecost), lecture and tutorial on May 20/21 will be skipped | * due to a short holiday (Whit Monday/Pentecost), lecture and tutorial on May 20/21 will be skipped | ||
* on Mon 27, we will restart with a lecture (which replaces the usual tutorial) | * on Mon 27, we will restart with a lecture (which replaces the usual tutorial) | ||
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== Lecture Slides == | == Lecture Slides == | ||
* [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/scicomp2_overview.pdf Introduction], [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/smoothing.pdf Relaxation Methods] (Apr 14) | * [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/scicomp2_overview.pdf Introduction], [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/smoothing.pdf Relaxation Methods] (Apr 14, 20) | ||
* [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/multigrid.pdf Multigrid Methods] (Part I: Apr 20, 24; Part II: Apr 24, May 4; Part III: May 11, 18) | |||
** [http://wwwhome.math.utwente.nl/~botchevma/fedorenko/index.php On the history of the Multigrid method creation] (website article by R.P. Fedorenko) | |||
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss13/MG-illustration.pdf some multigrid animations] | |||
* [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/conjugate.pdf Steepest Descent and Conjugate Gradient Methods] (Part I: May 18, Part II: Jun 1, Part II: Jun 8) | |||
** additional material: [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/quadratic_forms.mws Maple worksheet quadratic_forms.mws], also as [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/quadratic_forms.pdf PDF] | |||
** additional material: [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/conjugate_gradient.mws Maple worksheet conjugate_gradient.mws], also as [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/conjugate_gradient.pdf PDF] | |||
* [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/biros-lecture-nbody-tum.pdf Guest lecture by George Biros on n-body methods] | |||
* Molecular Dynamics: | |||
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/moldyn_intro.pdf Molecular Dynamics (Intro)] (Jun 22) | |||
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/moldyn_01.pdf Molecular Dynamics (Modelling)] (Jun 22) | |||
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/moldyn_02.pdf Molecular Dynamics (Time-Stepping)] (Jun 29) | |||
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/moldyn_03.pdf Molecular Dynamics (Force Computation: Linked Cell, Barnes-Hut, Fast Multipole)] (Jul 6, 13) | |||
*** additional material: [http://epubs.siam.org/doi/abs/10.1137/0913055 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) | |||
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= Repeat Exam = | |||
<!-- | |||
* '''Exam Review''': Wednesday, Aug 13, 15.00-16.30 (office E.2.048 in Leibniz Supercomputing Centre, Boltzmannstr. 1) | |||
--> | |||
* written exam | |||
* Date: '''Fri, Oct 2''' | |||
* Time: '''8.30-10.15''' - Please make sure to be in the lecture hall by 8:15, as the exam will start precisely at 8.30. | |||
* Place: '''Interim 2''' (black building in front of math/informatics) | |||
* Duration: 90 min. | |||
* material: '''no helping material of any kind is allowed during the exam''' | |||
* Topics: everything that was covered in the lectures and tutorials <!-- (except the last lecture, on long-range forces, July 17) --> | |||
<B> Please make sure that you are registered for the exam via TUMOnline!</B> | |||
Old exams are available on the websites of the last years (note that the curriculum of the lecture has slightly changed since then!): | |||
[http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss11/exam.pdf] | |||
[http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss10/exam.pdf] | |||
[http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss08/exam.pdf] | |||
= Literature = | = Literature = | ||
Latest revision as of 07:06, 10 September 2015
- Term
- Summer 2015
- Lecturer
- Prof. Dr. Michael Bader
- Time and Place
- Monday 14.30-16.00, lecture room MI HS 2
- Audience
- Computational Science and Engineering, 2nd semester
others: see module description - Tutorials
- Arash Bakhtiari
Tuesdays 10-12, lecture room MI 02.07.023 (from Apr 21),
First Tutorial: Apr 17 (Fri, 12-14) - Exam
- repeat exam (written): Fri, Oct 2, 08.30-10.15 (Interim 2)
- Semesterwochenstunden / ECTS Credits
- 2V + 2Ü / 5 Credits
- TUMonline
- Scientific Computing II
Announcements
- lecture on Friday, Apr 24, 12.15-13.45: in lecture hall MI HS 3 (replaces the lecture on Mon, Apr 27)
- change of tutorial: the tutorial slot will move from Wed to Tue 10-12 in seminar room MI 02.07.023
- change of lecture: the lecture slot will move from Tue 10-12 to Mon 14.30-16.00 and into lecture hall MI HS 2
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.
Lecture Notes and Material
All further announcements, worksheets and information can be found on the Moodle-page of this course.
Lecture Slides
- Introduction, Relaxation Methods (Apr 14, 20)
- Multigrid Methods (Part I: Apr 20, 24; Part II: Apr 24, May 4; Part III: May 11, 18)
- On the history of the Multigrid method creation (website article by R.P. Fedorenko)
- some multigrid animations
- Steepest Descent and Conjugate Gradient Methods (Part I: May 18, Part II: Jun 1, Part II: Jun 8)
- additional material: Maple worksheet quadratic_forms.mws, also as PDF
- additional material: Maple worksheet conjugate_gradient.mws, also as PDF
- Guest lecture by George Biros on n-body methods
- Molecular Dynamics:
- Molecular Dynamics (Intro) (Jun 22)
- Molecular Dynamics (Modelling) (Jun 22)
- Molecular Dynamics (Time-Stepping) (Jun 29)
- Molecular Dynamics (Force Computation: Linked Cell, Barnes-Hut, Fast Multipole) (Jul 6, 13)
- 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)
Repeat Exam
- written exam
- Date: Fri, Oct 2
- Time: 8.30-10.15 - Please make sure to be in the lecture hall by 8:15, as the exam will start precisely at 8.30.
- Place: Interim 2 (black building in front of math/informatics)
- Duration: 90 min.
- 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]
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. Camebridge University Press, 1995.
Further Material
Annotated slides for the lecture in summer 2010 /(given by Dr. Tobias Weinzierl) are available from the TeleTeachingTool Lecture Archive
Matlab (together with installation instructions) is available from https://matlab.rbg.tum.de/