Anna Hoser
Atomic Displacement: The big accumulator
Anna Hoser completed her PhD at the Faculty of Chemistry, University of Warsaw, where her dissertation focused on methods for modelling hydrogen atoms during the refinement of experimental electron density measurements. She then worked as a postdoctoral researcher in Professor Anders Ø. Madsen’s group at the Department of Chemistry, University of Copenhagen, specializing in lattice dynamics and dynamic quantum crystallography. Currently, she is based at her alma mater, the Faculty of Chemistry at the University of Warsaw, where she leads a research group dedicated to developing new methods for treating thermal motion in quantum crystallography and exploring ways to extract thermodynamic properties from single-crystal X-ray diffraction data.
Dynamic quantum crystallography – is it possible to obtain accurate thermodynamic properties from X-ray data?
Anisotropic displacement parameters usually do not attract attention and are treated as a dustbin for all experimental errors (there are only few remarkable exceptions). However, when data quality is good enough and we enrich the analysis of thermal motion in crystals with information from periodic DFT calculations
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