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TOPAS Intensive Course with hands-on training

Bruker AXS is pleased to announce a TOPAS Intensive Course with hands-on training held from August 20 - 22, 2020, as a satellite meeting to the Twenty-Fifth Congress and General Assembly of the International Union of Crystallography, August 22 - 30, 2020, Prague, Czech Republic.

The primary topic of this course is to teach participants the operation of TOPAS in Lauch Mode operation (scripting mode) for structure determination and refinement using both Bragg diffraction as well as PDF data. The course is open to all applicants interested into the structure analysis capabilities of TOPAS.

What you will learn:

  • TOPAS operation in Launch Mode
  • Ab-initio structure determination using Global Rietveld refinement (Simulated Annealing) and Charge Flipping methods
  • Structure refinement using the Rietveld and Two-Step methods
  • Bragg diffraction data analysis, PDF analysis, joint Bragg - PDF refinements
  • "Surface Refinements", "Parametric Refinements", "Distortion Mode Refinements"
  • Use of
    • single crystal and powder data
    • laboratory and synchrotron X-ray data, CW and TOF neutron data

 

What you will do:

  • Use your own laptop to determine and refine several organic and inorganic structures applying the methodology taught

 

The course will be entirely based on

  1. the new textbook " Rietveld Refinement – Practical Powder Diffraction Pattern Analysis using TOPAS" by Dinnebier, R.E., Leineweber, A. & Evans, J.S.O.; De Gruyter, 2018, 331 pages
  2. selected course materials used at the 2017 MMRRSA school organized by Peter Khalifah and Katherine Page, https://sites.google.com/a/stonybrook.edu/mmrrsa_2017/

A detailed program will be published by end of March.

Note: You need to bring your own, contemporary laptop to perform exercises in the hands-on sessions. You must have administrator rights as well as functioning WLAN and USB ports.

TOPAS V6 and temporary licenses will be made available onsite via WLAN. If you don´t want to bring a laptop or if your laptop does not fullfill the requirements you may follow the exercises on the main screen.

Fees and Registration:

https://www.xray.cz/iucr/workshops/topas/

Organizer:

Arnt Kern, Bruker AXS, DE

Duration:

August 20, 2020 (noon) - August 22, 2020 (noon)

Speakers and instructors:

  • Alan Coelho, Brisbane, AUS
  • Peter Khalifah, Stony Brook University & Brookhaven National Laboratory, US
  • Robert Dinnebier, MPI Stuttgart, DE
  • Maxwell Terban, MPI Stuttgart, DE
  • Sebastian Bette, MPI Stuttgart, DE
  • Arnt Kern, Bruker AXS, DE