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Welcome to the Software Project Computational Physics and Scientific Computing WS 2015/16


Registration: For resident students, prior registration in Campus Management AND KVV des Fachbereichs is required.
Non-resident students requiring a temporary FU account please contact katja.geiger[at]

Kickoff meeting: tba


Lecturer: Frank Noé, Christoph Wehmeyer
Language: English
SWS:4 ; LP/Credits: 10
Students: MSc Physics, MSc Mathematics
Requirements: see below


Date Time Location
Fridays 10:15-11:45 Arnimallee 6, SR 126 (1st floor)


Up to 12 master students of physics, mathematics and computer science will collaborate on a software development project from the realm of computational physics and scientific computing. We will specify the desired features and behavior of the software to be developed depending on the size and composition of the group - a typical project will include generation and analysis of numerical/simulation data as well as data management and storage. To meet the different backgrounds of physicists, mathematicians and computer scientists, the project will include aspects of theoretical physics (understanding theory and physical models), numerics (such as simulation aspects) as well as pure informatics (such as data processing, database design and development, software architecture design).
We will meet once a week to discuss progress and problems. Students will self-organize (with our assistance) in terms of dividing work and presenting results.


  • All students are required to have basic training in programming, be familiar with at least one of the following languages: Python, C, C++, Java. Matlab is not sufficient.
  • For physics students, this module will be recognized in the elective module area. It is suggested that students have gone through the module Computational Physics or do that in parallel.
  • For mathematics students this module is a "Forschungsprojekt". Mathematics students should have read CoMa I, II and Numerik I.

Scientific Background

A software development project will be selected that is relevant for applications in molecular dynamics or the simulation of cellular processes, i.e. biophysics / scientific computing in the life sciences. Knowledge in these areas is helpful but not necessary.

Software Aspects

  • Programming languages: The API is requested to be in Python. The underlying library can be developed in Python or C/C++. Depending on the project progress we might get to GPU-extensions in CUDA, OpenCL or OpenACC.
  • Students will practice continuous integration, software design and git repository usage.
  • Community software tools such as github will be used for software planning, development and issue management.
  • Open source software development for the scientific community

Credit Requirements

  • Active participation (documented by contributions / commits to code and development and regular participation / presentation in weekly meetings)
  • Final presentation of results and contributions
  • Submission of a written report


Name Consultation Hour Mail
Frank Noé appointment by email. Arnimallee 6, R213 frank.noe[at]
Christoph Wehmeyer appointment by email. Arnimallee 6, R212a christoph.wehmeyer[at]

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