Dresden 2011 – wissenschaftliches Programm

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A: Fachverband Atomphysik

A 13: Poster II

A 13.1: Poster

Dienstag, 15. März 2011, 18:00–20:00, P1

Diffraction patterns of ensembles of small molecules — •Martin Winter, Ulf Saalmann, and Jan-Michael Rost — Max-Planck-Institut für Physik koplexer Systeme

Upcomming X-ray free-electron lasers produce radiation with a high brilliance at Angstrom wavelengths. These sources can image molecules with a resolution down to the atomic scale. However, since the cross sections of the interaction are small, the resulting diffraction patterns will be very faint. The retrieval of the molecular structure out of many faint diffraction images is very challenging [1].

Therefore we propose a new method to determine the structure of small molecules from their diffraction patterns. From their incoherent sum, all intra-molecular distances and their multiplicities are extracted. This leads to a multidimensional turnpike problem which we tackle by two different methods: a backtracking strategy proposed by Skiena et al. [2] and a variation of the satisfiability problem using multidimensional scaling.

[1] K.J. Gaffney and H.N. Chapman, Science 316, 1444 (2007).

[2] S. Skiena, W. Smith and P. Lemke, Proceeding SCG, doi:10.1145/98524.98598