Event Name

Topological methods for expert systems in materials science

Start Date 12th Aug 2014
End Date 16th Aug 2014
The main goal of this school is to give an introduction to this whole new area that we call Topological Crystal Chemistry and to show how the topological methods and tools can be used for creating expert systems in materials science. There will be large time dedicated to hands-on session on the use of the novel and still not so widespread computer methods/software/databases so the student at the end of the course should be able to analyse any kind of extended structure through the eye of the topology and describe it in term of nets, entanglements, catenation etc. A special attention will be paid to the analysis of various classes of crystalline materials, in particular, MOFs, supramolecular crystals, zeolites, fast-ion conductors, minerals. All participants will have an ability to analyze their own crystal structures with the help of tutors that will be available also in the evening time. A special session will be devoted to summarize the results of such personal/free works.
The tutorial will start with a theoretical introduction where the background of the topological methods will be briefly, but rigorously, considered. No special mathematical skills are required, but the participants have to be aware of crystal chemistry and crystallography basics. The main abilities, problems, and perspectives of topological analysis of crystalline networks will be outlined.

The main part of the tutorial will be devoted to practical works with the computer programs TOPOS ( http://www.topos.samsu.ru/ ), Systre, and 3dt ( http://www.gavrog.org/ ) with a special attention to TOPOS.
Location Samara
Russian Federation
Contact Davide M Proserpio
URL http://sctms.ru/train/school/?lang=en

Category Schools
Topics Materials