Scientific Computing

This is the application server of the Scientific Computing Group at the Heinz Maier-Leibnitz Zentrum Garching.

• The Workshop on Grazing Incidence Scattering Software (9-10 April 2013 in Garching) has brought together 35 GISAXS and GISANS specialists. At this occasion, we published the first tarball of our GISAS software BornAgain.
• There is an open postdoc position for scientific software development and its application to condensed-matter research (contact Joachim Wuttke)

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

• Small-angle scattering:
  • BornAgain: Modelling and data analysis software for 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
  • msca3: Multiple-scattering simulation
• Generic data correction
  • absco: Absorption correction for X-ray and neutron diffraction
• Metadata catalogue for large facility experimental data
  • PyICAT: An ICAT WebService client module

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.
• libkww: A C library providing an efficient implementation of the Kohlrausch-Williams-Watts function (Fourier-Laplace transform of the stretched exponential function).
• slatec4gfortran: a SLATEC distribution for the gfortran compiler.

Online tools:

• nXsection: Neutron transmission calculator (beta preview)

Little command-line scripts for download:

• ubahn: Next departures of U6 trains from Garching-Forschungszentrum
• frm2-phone: Internal phone book lookup

We participate in several national and international initiatives:

• PNI_HDRI High Data Rate Processing and Analysis Initiative of the German Helmholtz-Gemeinschaft
• PaNdata Photon and Neutron Data Infrastructure
• ICAT Data catalogue
• NeXus A common data format for neutron, x-ray and muon science
  • Joachim represents FZJ and FRM II in the International Advisory Committee
• NoBugs conference series
  • Joachim represents JCNS in the International Advisory Committee

We offer hosting of software and documentation on our DokuWiki and git server.

• Data analysis software:
• Instrument manuals, experiment logs, and data-acquisition software:
  • SPHERES backscattering spectrometer
  • J-NSE spin-echo spectrometer
• Ad hoc information:
  • meetings
    • Grainau 2013

• http://apps.jcns.fz-juelich.de/src Software repository
  
• http://apps.jcns.fz-juelich.de/redmine Project management, revision control, and bug tracker
  
• Software catalogues
• Publication list
  • Posters and Talks
• intern

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

Group members are listed on our official homepage.