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Topology: "At the heart of MOF chemistry"

13.11.2018


 “At the heart of MOF chemistry: Topology”

Structure and Topology Workshop in Munich, Technical University of Munich at 26th/27th November 2018

Organizer: Prof. R. Schmid, Prof. R. A. Fischer, Pia Vervoorts, David Mayer, Julian Keupp

This joined FOR2433 and COORNETs workshop dives into the heart of MOF and related network materials chemistry: the concepts of crystal topology. This is important for both experimentalists, who want to determine the topology of new materials and theoreticians, aiming to predict new systems using topologies as a starting point. We will tackle the fundamentals of topology, symmetry, and structure analysis and prediction in both tutorial lectures and practical hands-on sessions. On the first day, experts in the field will discuss about different aspects of topology in MOFs and related materials from an experimental and theoretical point of view. On the second day, in hands-on sessions representative computational tools in the field of geometrical and topological analysis of crystal structures and MOF structure prediction will be introduced (ToposPro by F. Hoffmann and MOF+ by R. Schmid). In this seminar you will learn how to use programs and databases to determine the topology of your new MOF structures, along with the background how the utilized algorithms work and what they do. In addition, a brief introduction is given on how topologies can be used to create crystal structures from scratch using MOF+. Note, that these hands-on sessions will be BYOD (“bring your own device”)

Speakers

  1. Frank Hoffmann (Universität Hamburg)
  2. Rochus Schmid (Ruhr-Universität Bochum)
  3. Igor Baburin (TU Dresden)
  4. Volodymyr Bon (TU Dresden)
  5. Gregor Kieslich (TU München)

Organizational Details:

Date: Monday/ Tuesday 26th – 27th November 2018

Venue: Inorganic and Metal-Organic Chemistry, Department of Chemistry, Technische Universität München, Lichtenbergstr. 4, 85748 Garching, seminar room 56210 (5th floor, orange-red tower)

Contact: David Mayer (david.mayer@tum.de), Pia Vervoorts (pia.vervoorts@tum.de)

Costs: There is no workshop fee. Lunch, drinks, coffee/ cake are provided. Dinner at Brauhaus and travel expenses must be paid individually. For the first 30 participants registering, the workshop organizers will cover the accommodation at the Ibis Budget Hotel (Daimlerstraße 5, 85748 Garching-Hochbück)

Technical requirements: Please bring your own laptop for the second day of the workshop. Note, that ToposPro can be run only on Windows (https://topospro.com/). Mac and Linux users should have an appropriate virtual machine installed in order to run ToposPro. Ideally you install the program on your machine and test it before the workshop. The session on structure prediction using MOF+ (https://www.mofplus.org/) can be performed in part in any modern browser. Computational work needs to be performed on Linux environment, which can be provided via logging in to a computer server at the Ruhr University Bochum.

Registration: Please register via the following link:

https://wiki.tum.de/pages/viewpage.action?pageId=42999910

(please do not follow the link directly, but copy it into your browser as otherwise it will not work properly).

The number of participants is limited to 50 on a ‘first come, first served’ basis!