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 = Tuesday 10-12 (MI HS 2); first lecture: Tue, Apr 9 <!--, and Tue, Apr 10 (in tutorial slot)-->
| timeplace = Tuesday 10-12 (MI HS 2); first lecture: Tue, Apr 10 <!--, and Tue, Apr 10 (in tutorial slot)-->
| credits = 2V + 2&Uuml; / 5 Credits
| credits = 2V + 2&Uuml; / 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.]],<br> Friday 14-16, lecture room MI HS 2 (starts April 13)
| tutorials = [[Carsten Uphoff, M.Sc.]], [[Nikola Tchipev, M.Sc.]],<br> Friday 14-16, lecture room MI HS 2 (starts April 13)
| exam = written exam, time/day see below
| exam = written exams (Aug 2 and Oct 10)
| tumonline = [https://campus.tum.de/tumonline/wbLv.wbShowLVDetail?pStpSpNr=950349327 Scientific Computing II]
| tumonline = [https://campus.tum.de/tumonline/wbLv.wbShowLVDetail?pStpSpNr=950349327 Scientific Computing II]
}}
}}


= Announcements =
= Announcements =
* on '''Fri, Jul 27''' (14-16, MI 02.07.023), '''there will be a questions&answers session''' about the exam topics (lecture only)
<!--* on '''Tue, Apr 25''' (10-12, MI HS 2), '''there will be a lecture''' replacing the one on May 1.-->
<!--* on '''Tue, Apr 25''' (10-12, MI HS 2), '''there will be a lecture''' replacing the one on May 1.-->


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Lecture slides will be published here. For future lectures, the respective slides from summer 2017 will be linked.
Lecture slides will be published here. For future lectures, the respective slides from summer 2017 will be linked.
* [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss18/scicomp2_overview.pdf Introduction], [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss18/smoothing.pdf Relaxation Methods] (Apr 9, 16)
* [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss18/scicomp2_overview.pdf Introduction], [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss18/smoothing.pdf Relaxation Methods] (Apr 10, 17)
* [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss18/multigrid.pdf Multigrid Methods] <!--(Part I: Apr 25; Part II: May 8,15 Part III: May 15, 22)-->
* [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss18/multigrid.pdf Multigrid Methods] (Part I: Apr 17; Part II: Apr 20,24; Part III: May 15, 25)
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss13/MG-illustration.pdf some multigrid animations] (more peas!)
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss13/MG-illustration.pdf some multigrid animations] (more peas!)
** if you're interested: [http://wwwhome.math.utwente.nl/~botchevma/fedorenko/index.php On the history of the Multigrid method creation] (website article by R.P. Fedorenko)
** if you're interested: [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/ss17/conjugate.pdf Steepest Descent and Conjugate Gradient Methods] <!--(Part I&II: May 29, Part III: Jun 12, 19)-->
* [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss18/conjugate.pdf Steepest Descent and Conjugate Gradient Methods] (Part I&II: May 25, 29, Part III: May 29, Jun 5)
** 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/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]
** 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]
* Molecular Dynamics:
* Molecular Dynamics:
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss17/moldyn_intro.pdf Molecular Dynamics (Intro)] <!-- (Jun 19) -->
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss18/moldyn_intro.pdf Molecular Dynamics (Intro)] (Jun 12)
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss17/moldyn_model.pdf Molecular Dynamics (Modelling)] <!-- (Jun 26) -->
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss18/moldyn_model.pdf Molecular Dynamics (Modelling)] (Jun 12)
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss17/moldyn_numerics.pdf Molecular Dynamics (Time-Stepping)] <!-- (Jul 3) -->
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss18/moldyn_numerics.pdf Molecular Dynamics (Time-Stepping)] (Jun 19)
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss17/moldyn_forces.pdf Molecular Dynamics (Force Computation: Linked Cell, Barnes-Hut, Fast Multipole)] <!--(Jul 3, 10, 17)-->
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss18/moldyn_forces.pdf Molecular Dynamics (Force Computation: Linked Cell, Barnes-Hut, Fast Multipole)] (Jun 26; Jul 3, 10)
*** 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 [https://www.lrz.de/services/netzdienste/proxy/browser-config_en/ LRZ proxy] or after logging in to [https://login.eaccess.ub.tum.de/login TUM's e-library])
*** 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 [https://www.lrz.de/services/netzdienste/proxy/browser-config_en/ LRZ proxy] or after logging in to [https://login.eaccess.ub.tum.de/login TUM's e-library])


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= Exams =
= Exams =


* written exam (regular and repeat)
* written exam (regular and repeat), working time: 105 minutes
* material: '''no helping material of any kind is allowed during the exam'''
* material: '''no helping material of any kind is allowed during the exam'''
* Topics: everything that was covered in the lectures and tutorials
* Topics: everything that was covered in the lectures and tutorials
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[http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss08/exam.pdf]
[http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss08/exam.pdf]


== Second Exam ==
== 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)
<!--
<!--
* '''Exam Review''': Friday, Nov 3, 14.00-16.00; room: SCCS chair, printer room (glas box, directly after second door in 5th hallway on the second floor)
* '''Exam Review''': Thursday, Aug 31, 14.00-16.00; room: SCCS chair, printer room (glas box, directly after second door in 5th hallway on the second floor)
* Date: '''Friday, Oct 6'''
* Time: '''13.30-15.15''' - Please make sure to be in the lecture hall by 13.15, as the exam will start precisely at 13.30.
* Place: '''PH HS 2''' (2502)
-->
-->


== First Exam ==
== Second Exam: Wednesday, Oct 10 ==
<!--
* '''Exam Review''': Thursday, Oct 25, 13.00-15.00; room: SCCS chair, printer room (glass box, directly after second door in 5th hallway on the second floor)  
* '''Exam Review''': Thursday, Aug 31, 14.00-16.00; room: SCCS chair, printer room (glas box, directly after second door in 5th hallway on the second floor)
* 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.
* Date: '''Monday, Jul 31'''
* Place: '''Interim 2'''
* Time: '''13.30-15.15''' - Please make sure to be in the lecture hall by 13.15, as the exam will start precisely at 13.30.
* Place: '''MI HS 1''' (Friedrich L. Bauer Hörsaal )
-->


= Literature =
= Literature =

Latest revision as of 06:49, 22 October 2018

Term
Summer 2018
Lecturer
Prof. Dr. Michael Bader
Time and Place
Tuesday 10-12 (MI HS 2); first lecture: Tue, Apr 10
Audience
Computational Science and Engineering, 2nd semester
others: see module description
Tutorials
Carsten Uphoff, M.Sc., Nikola Tchipev, M.Sc.,
Friday 14-16, lecture room MI HS 2 (starts April 13)
Exam
written exams (Aug 2 and Oct 10)
Semesterwochenstunden / ECTS Credits
2V + 2Ü / 5 Credits
TUMonline
Scientific Computing II



Announcements

  • on Fri, Jul 27 (14-16, MI 02.07.023), there will be a questions&answers session about the exam topics (lecture only)

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.

Exercises

See the Moodle course.

Exams

  • 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!

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]

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

  • Exam Review: Thursday, Oct 25, 13.00-15.00; room: SCCS chair, printer room (glass box, directly after second door in 5th hallway on the second floor)
  • 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

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)
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