Scientific Computing II - Summer 16
- Term
- Summer 2016
- Lecturer
- Prof. Dr. Michael Bader
- Time and Place
- Monday 14-16 (MI HS 2); first lecture: Mon, Apr 11
- 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
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.
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.