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Synopsis
The Quantum Crystallography Workshop at ECM35 offers participants a comprehensive introduction to quantum crystallography, combining theoretical insights with hands-on training using state-of-the-art software tools. The workshop covers the implementation of the Hirshfeld Atom Refinement (HAR) and the Transferable Aspherical Atom Model (TAAM) in Olex2, multipole model refinement using MoPro, and estimation of anisotropic displacement parameters with NoMore. This workshop is tailored for crystallographers at all levels who are interested in incorporating quantum crystallography methods into their research. Participants will gain practical experience in data preparation and structure refinement techniques using quantum-based approaches.
to be announced
Maura Malinska, University of Warsaw
Paulina Dominiak, University of Warsaw
Michał Chodkiewicz, University of Warsaw
Anna Hoser, University of Warsaw
Anders Madsen, University of Copenhagen
Benoît Guillot, University of Lorraine
Contact
m.malinska@uw.edu.pl