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Scientific Computing Group

We develop and maintain dedicated data-analysis software for neutron scattering and coordinate the standardisation of data formats. We support instrument scientists and their users in all questions related to data analysis.

We preferentially use open-source software, and contribute to open-source projects. We collaborate with other scattering centres in Europe, and participate the European consortium SINE2020.

News

[31mar19] Our git repositories are gradually migrated to their new location on Jülich's central Gitlab server, https://jugit.fz-juelich.de/mlz.

Software for Neutron Scattering

Our mission is the development, integration, and maintenance of data-analysis software for specific scattering techniques:

  • Small-angle scattering:
    • BornAgain: Simulate and fit grazing-incidence small-angle scattering (GISAS).
  • High-resolution inelastic scattering (Time-of-flight, backscattering):
    • slaw: Convert neutron raw data to scattering law S(q,w)
    • Frida: The Swiss Army Knife of Spectral Data Analysis
    • MSca: Multiple-scattering simulation
  • Generic data correction
    • absco: Absorption correction for X-ray and neutron diffraction
  • Stress-texture calculator
  • Single crystal diffraction data analysis
    • nsxtool: single crystal diffraction toolkit

We also contribute generic open-source software:

  • lmfit: A C library for Levenberg-Marquardt minimization and least-squares fitting.
  • libcerf: A C library providing complex error, Dawson, Faddeeva, and Voigt functions.
  • kww: A C library providing an efficient implementation of the Kohlrausch-Williams-Watts function (Fourier-Laplace transform of the stretched exponential function).
  • ransampl: A C library for sampling random events from a discrete distribution.

Resources

Notes and tools

Technical Notes of general interest:

Online tools:

  • nXsection: Neutron transmission calculator (beta preview)

Little command-line scripts for download:

  • ubahn: Next departures of U6 trains from Garching-Forschungszentrum

Presentation template:

About our group

Contact

Current staff members are listed here. Besides, our group hosts scientific guests and student interns.

Location of our offices, temporarily outside the FRM II site:

Max-Planck-Institut für Plasmaphysik
Building D1
Boltzmannstraße 2
85748 Garching

Postal address:

Forschungszentrum Jülich GmbH
Jülich Centre for Neutron Science at MLZ
Lichtenbergstraße 1
85748 Garching, Germany

Opportunities for students

At any moment, we offer interesting subjects for internships (Werkstudent, Studienarbeit, Praxissemester) and for theses (B. Sc., M. Sc., Ph. D.) in physics, numerical mathematics or computer science.

To apply, please write to j.wuttke@fz-juelich.de. Specify for which space of time and for how many hours per week you are available. Send all documents as a single PDF attachment.

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