# Difference between revisions of "Introduction to Scientific Computing II - Summer 12"

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= Announcements = | = Announcements = | ||

− | = Exam = | + | |

+ | <font color=red> The review of the exam takes place on Wed., August 8 10-11am, 02.05.055 | ||

+ | </font> | ||

+ | |||

+ | = Repeat Exam = | ||

+ | |||

+ | * written exam | ||

+ | * Date: '''Wed, 10 Oct 2012''' | ||

+ | * Time: 8:30 - 10:00<br>'''Please make sure to be in the exam room by 8.15''', as the exam will start at 8.30. | ||

+ | * Place: '''MW 1450''' (in the engineering department!) | ||

+ | * Duration: 90 min. | ||

+ | * auxiliary material allowed: | ||

+ | ** one hand-written sheet of paper (Din A4), written on both sides | ||

+ | ** You are not allowed to use any other tools / devices (e.g. electronic dictionaries) | ||

+ | * 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: | ||

+ | |||

+ | 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 | ||

= Contents = | = Contents = | ||

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This course provides a deeper knowledge in two important fields of scientific computing: | This course provides a deeper knowledge in two important fields of scientific computing: | ||

− | * solution of large sparse systems of linear equations: | + | * iterative solution of large sparse systems of linear equations: |

− | |||

** relaxation methods | ** relaxation methods | ||

** multigrid methods | ** multigrid methods | ||

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|- | |- | ||

| July 3 || [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss12/moldyn_01.pdf Molecular Dynamics (Modelling)]<br>[http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss12/moldyn_02.pdf Time Integration] || July 9 | | July 3 || [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss12/moldyn_01.pdf Molecular Dynamics (Modelling)]<br>[http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss12/moldyn_02.pdf Time Integration] || July 9 | ||

− | || | + | || [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss12/tutorial_C/C_discretisation_tutorial.pdf MD Discretisation] <BR> [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss12/tutorial_C/C_discretisation_tutorial_solution.pdf solution]|| |

− | < | + | |- |

+ | | July 10 || [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss12/moldyn_02.pdf Time Integration]<br>[http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss12/moldyn_03.pdf Implementation and Parallelisation] || July 16 || || | ||

|- | |- | ||

− | | July | + | | July 17 || Outlook on [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss12/moldyn_04.pdf long-range potentials] (not part of the exam) || || || |

− | |||

|} | |} | ||

## Latest revision as of 12:54, 5 October 2012

**Term**- Summer 12
**Lecturer**- Prof. Dr. Michael Bader
**Time and Place**- Tuesday 8:30-10:00, lecture room MI 02.07.023

First Lecture: April 17 **Audience**- Computational Science and Engineering, 2nd semester (Module IN2141)
**Tutorials**- Wolfgang Eckhardt

lecture room MI 02.07.023, time:

Monday 9:00-9:45,

First Tutorial: April 23 **Exam**- written exam
**Semesterwochenstunden / ECTS Credits**- 2V + 1Ü / 4 Credits
**TUMonline**- Scientific Computing II

## Contents

# Announcements

The review of the exam takes place on Wed., August 8 10-11am, 02.05.055

# Repeat Exam

- written exam
- Date:
**Wed, 10 Oct 2012** - Time: 8:30 - 10:00
**Please make sure to be in the exam room by 8.15**, as the exam will start at 8.30. - Place:
**MW 1450**(in the engineering department!) - Duration: 90 min.
- auxiliary material allowed:
- one hand-written sheet of paper (Din A4), written on both sides
- You are not allowed to use any other tools / devices (e.g. electronic dictionaries)

- Topics: everything that was covered in the lectures and tutorials (except the last lecture, on long-range forces, July 17)

** Please make sure that you are registered for the exam via TUMOnline!**

Old exams are available on the websites of the last years:

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

# 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 computer scientists, mathematicians, engineers, or natural scientists with already a background in the numerical treatment of (partial) differential equations.

# Lecture Notes and Material

## 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/

# Literature

- William L. Briggs, Van Emden Henson, Steve F. McCormick. A Multigrid Tutorial. Second Edition. SIAM. 2000.
- J.R. Shewchuk. An Introduction to the Conjugate Gradient Method Without the Agonizing Pain (download as PDF). 1994.
- M. Griebel, S. Knapek, G. Zumbusch, and A. Caglar. Numerische Simulation in der Molekulardynamik. Springer, 2004.
- 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 ASpplications. 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.