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ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG
INSTITUTE FOR COMPUTER SCIENCE
Chair of Pattern Recognition and Image Processing
Prof. Dr.-Ing. Hans Burkhardt


Georges-Köhler-Allee 52, Room 01-029,
D-79110 Freiburg, Tel. 0761-203-8260


The Chair of Pattern Recognition and Image Processing is currently offering a

Bachelor-/ Studienarbeit
(Student research project)

on
Matching of crystal surfaces


Finding nucleating agents for phase change materials (PCM) in large crystal structure databases is a crucial step towards the development of an efficient energy storage. One expects that, analogous to growing crystals on substrates of a (geometrically) similar structure, a structure is probable to act as a nucleating agent for another structure if there exists a strong similarity between the surfaces of both structures. One way to represent crystal surfaces is by considering their electron density distribution.
The aim of this work is to compare precomputed electron density distributions of surfaces of a small database consisting of 30 crystal structures. This can be done by registration; the remaining distance after registration is a measure of dissimilarity of the matched structures. Different methods for rigid registration in 3D shall be tested, e.g.:
  • cross-correlation methods
  • mutual information methods
  • entropy based methods.


Bibliography

1
E. Katchalski-Katzir, I. Shariv, M. Eisenstein, A. Friesem, C. Afalo, and A. Vakser: Molecular surface recognition: Determination of geometric fit between proteins and their ligands by correlation techniques . Proceedings of the National Academy of Sciences of the United States of America , 89, pages 2195-2199, 1992.

2
J. Pluim, J. Maintz, and M. Viergever: Mutual-Information-Based Registration of Medical Images: A Survey. IEEE Transactions on medical imaging,22, pages 986-1004, 2003.



Candidates: Students in electrical engineering, physics, computer science or mathematics.

Please contact:

M. Keuper
Room: 01-023
Telephon: 0761/203-8271
E-Mail: keuper@informatik.uni-freiburg.de



June 2008

Margret Keuper 2008-06-27