Scientific Computing II - Summer 15
- Summer 2015
- Prof. Dr. Michael Bader
- Time and Place
- Monday 14.30-16.00, lecture room MI HS 2
- Computational Science and Engineering, 2nd semester
others: see module description
- Arash Bakhtiari
Tuesdays 10-12, lecture room MI 02.07.023 (from Apr 21),
First Tutorial: Apr 17 (Fri, 12-14)
- exam review: Mon, August 3., 09.00-11.00 at Institute for Advanced Study (IAS) in room 1.008
- Semesterwochenstunden / ECTS Credits
- 2V + 2Ü / 5 Credits
- Scientific Computing II
- 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
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
- 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.
- Introduction, Relaxation Methods (Apr 14, 20)
- Multigrid Methods (Part I: Apr 20, 24; Part II: Apr 24, May 4; Part III: May 11, 18)
- Steepest Descent and Conjugate Gradient Methods (Part I: May 18, Part II: Jun 1, Part II: Jun 8)
- 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)
- written exam
- Date: Mon, July 20
- Time: 12.00-13.45 - Please make sure to be in the lecture hall by 11:45, as the exam will start precisely at high noon.
- Place: MW 1801 (engineering department)
- 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!
- 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.
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/