Bilkent University
Department of Computer Engineering

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S E M I N A R

 

Pattern Information Extraction from Crystal Structures

 

Erhan Okuyan
MSc.Student
Computer Engineering
Bilkent University

Determining crystal structure parameters of materials is a quite important issue in crystallography. Knowing the crystal structure parameters helps to understand physical behaviors of materials. For complex structures, particularly for materials which also contain local symmetry as well as global symmetry, obtaining crystal parameters can be quite hard. This work provides a tool that will extract crystal parameters such as primitive vectors, basis vectors and space group from atomic coordinates of crystal structures. A visualization tool for examining crystals is also included. Accordingly this work presents a useful tool that help crystallographers, chemists and material scientists to analyze crystal structures efficiently.

 

DATE: December14, 2005, Wednesday@ 09:30
PLACE: EA 102