Scientific Computing II - Summer 16: Difference between revisions
Jump to navigation
Jump to search
mNo edit summary |
mNo edit summary |
||
| Line 9: | Line 9: | ||
| tumonline = [https://campus.tum.de/tumonline/LV.detail?clvnr=950181823 Scientific Computing II] (still summer 2015!) | | tumonline = [https://campus.tum.de/tumonline/LV.detail?clvnr=950181823 Scientific Computing II] (still summer 2015!) | ||
}} | }} | ||
= 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. | |||
= 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) | |||
* [http://www.cs.cmu.edu/~jrs/ J.R. Shewchuk]. An Introduction to the Conjugate Gradient Method Without the Agonizing Pain ([http://www.cs.cmu.edu/~quake-papers/painless-conjugate-gradient.pdf download as PDF]). 1994. | |||
* V. Eijkhout: [http://tacc-web.austin.utexas.edu/veijkhout/public_html/istc/istc.html 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. | |||
[[Category:Teaching]] | |||
Revision as of 15:19, 4 January 2016
- Term
- Summer 2016
- Lecturer
- Prof. Dr. Michael Bader
- Time and Place
- currently scheduled for Monday 14-16, lecture room MI HS 2
- Audience
- Computational Science and Engineering, 2nd semester
others: see module description - Tutorials
- Carsten Uphoff, M.Sc.
time/day t.b.a. - Exam
- written exam, time/day t.b.a.
- Semesterwochenstunden / ECTS Credits
- 2V + 2Ü / 5 Credits
- TUMonline
- Scientific Computing II (still summer 2015!)
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.
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.