Scattering Methods and Theory – University of Copenhagen

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X-Ray and Neutron Science > Research > Scattering Methods and...

Scattering Methods and Theory

“How we live is so different from how we ought to live that he who studies what ought to be done rather than what is done will learn the way to his downfall rather than to his preservation” (Machiavelli).

The X-Ray and Neutron Science Section works on programs for analysis of scattering data.

It is a sad fact that the information content of small-angle scattering data is often quite low compared to other forms of experiments. However it is also true that small-angle scattering experiments are frequently the only available path to particular kinds of information. Consequently it is equally important that the methods by which the scattering data are analyzed are able to extract the maximum information with a minimum bias.

Projects include

  • Development of methods based on Reverse Monte Carlo method for analyzing complex scattering functions
  • Developing methods for estimation of the structure factor and the distance distribution function from small-angle scattering data. 
    Web site: www.bayesapp.org/
  • Developing methods for calculating the small-angle scattering profiles from real space structures using Monte Carlo Methods:
    Web site: www.bayesapp.org/simtest/
  • Development of methods for estimation of structure factors for analysis of small-angle scattering data:
    Web site: www.bayesapp.org/struct/

Further theoretical/model based studies include:

  • Theoretical studies of structural aspects of complex macromolecules using a coarse-grained molecular dynamics simulation method.
  • Developing Bayesian-based methods to estimate the relaxation spectrum from rheological experiments.
  • Web site: www.bayesrelax.org

Source Codes:
From the links given above Fortran source codes and articles describing the programs can be downloaded.

For further information, contact Steen L Hansen slh@nbi.dk