Seminar Scientific Computing

Seminar registration: If one has interests to participate at the seminar in the coming summer term, contact Markus Krosche (m.krosche@tu-bs.de). We arrange a short appointment to speak about the topic and the supervisor. The registration ends in the first week of the winter semester (or if no free topics are available). The seminar usual takes place Thursdays between 16:45-18:30 in the seminar room RZ012 of the computing center.

Every paricipant of our seminar has to write an elaboration about his seminar topic (a summery in his/her own words). This written document must be delivered to the supervisor two weeks before the talk is scheduled (at the latest!). But we assume that every participant informs his supervisor continuously about the current state of his work. Is this not the case and the participant do not contact the supervisor continuously the topic is opened again for other students or is removed from the schedule. The presentation foils must be delivered one week before the talk is scheduled (at the latest!). The foils must be checked by the supervisor. The duration of the talk should be 45 min. (not longer). After the seminar talk there will be a small discussion up to 10 min. It is oligatory to be present at all other seminar talks!

The time one needs for a seminar is nearly equivalent with the time one needs for a 2 hours lecture with excercises and homeworks (4 credits). One credit is equivalent to 30 hours of work, i.e. for a seminar (4 credits) one have to calculate 120 hours of work (3 weeks (Mo-Fr) with 8 hours per day).

Each participant gets a research paper. We expect that the participants go through the material independently, e.g. doing a small literature review. As a result of this phase an elaboration which summerizes the paper has to be written. This document is the source for the foils for the talk. Additionally all participants have to be present in all seminar talks.

The elaboration has to be written in latex, so the foils. You can find latex frameworks for the document and the foils in the download section on this page.

• Direct Simulation Monte Carlo
  Abstract: In support of the study of macroscopic dynamical properties of Rarefied Gases one can use the Direct Simulation Monte Carlo (DSMC)-method. This is a particle-based simulation method for gas dynamics and can be considered as either a simplified molecular dynamics (the timescale of real molecular dynamics processes is of several orders of magnitude smaler) or as a Monte Carlo method for solving the Boltzmann equations. The DSMC-simulation method has been used for investigations of rarefied gas flows and has recently found new applications. After describing the DSMC-Method in conjunction with an novel application the candidate should draw the outline of the application range.
• Holonomic Constraints for Molecular Dynamics
  Abstract: In classic models of the molecular mechanics for Molecular Dynamics Simulations the high-frequency parts of the degree of freedoms for the bond- and angle potentials are often to be regarded as fixed. The lengths of the chemical bonds and values of the angles in molecules are considered as fixed. By the use of holonomic constrains in molecular simulation systems the bondlengths and angles are permanently restraint on an default value. For an implementation of such geometrical constrains within the molecules different Methods exits. One of them is the so called symplectical RATTLE-Algorithm, which fulfilleds in every time step the constrains by means of Lagrange multipliers. In the RATTLE a set of nonlinear equations are generated and solved iteratively for the Lagrange multipliers. The first task is to give a formulation of the symplectical RATTLE-algorithm in the framework of general hamiltonian functions and compare the RATTLE with the related SHAKE-algorithm. For complex constrains one can use other iterative solver for the Lagrange multipliers for instance the Newton-Method. Outline the advantage of the RATTLE-iteration in comparison to the Newton-iteration.
• Radial basis functions
  Abstract: Radial basis function methods are modern ways to approximate multivariate functions, especially in the absence of grid data. They have been known, tested and analysed for several years now and many positive properties habe been identified. The ideas of the method shall be explained in conjunction with theoretical results about convergence rates. Furthermore examples of the application of the method shall be given.
• Splitting methods
  Abstract: In many instationary problems the spatial differential operator can be split into a sum of operators, each having it's own distinct properties. An example is a reaction diffusion system where the operator can be split into the reaction and the diffusion part. Each of them can be integrated separately taking into account the special properties of the operator (e.g. stiffness, conservativity). The method shall be explained in detail together with it's implication on the order and stability of the resulting scheme and some sample applications showing the method in practice.

Adaptive Finite Element Method
Keywords: error estimation/indication, adaptive discretisations, h-, p-refinement

• Uncertainty quantification in complex systems
• Computational Optimization of Systems Governed by Partial Differential Equations (PDE)
• Modeling and Analysis of Non-Markovian Stochastic Processes using Stochastic Petri Nets
  Stochastic processes without the Markov property (memoryless property) are called Non-Markovian processes. This seminar deals with modeling and analysis techniques for this kind of stochastic processes.

• Component Technologies; vegeben an Husam Alzaq (CSE), Betreuer: Dr.Rainer Niekamp
• Die Kahlmann-Filter-Methode und ihre Anwendung; vegeben an Thorsten Bischoff (Informatik), Betreuer: Dr.Rainer Niekamp
• Numerical methods for solving large Markov chains; vergeben an Frank Loocke (Mathematik), Betreuer: Markus Krosche
  Analysis of Stochastic Petri Nets yields to the analysis of the underlying marking process which is often a Markov chain. This seminar presentation deals with efficient numerical methods for handling very large markov chains.

Latex foils framework for the presentation: presentation.tar.gz

Latex framework for the written elaboration: seminarausarbeitung.tar.gz

• Der goldene Weg zum perfekten Seminarvortrag