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Getting More from Your 3D ED data: Dynamical Refinement in Jana2020

Dynamical effects in electron diffraction put a limit to accuracy achievable by kinematical approximation. For the best fits, most accurate structure models, cleanest difference maps and chirality information, dynamical diffraction theory must be employed. In this webinar, the dynamical refinement procedure implemented in Jana2020 will be introduced with emphasis on the latest developments like treatment of mosaicity or absorption effects as well as on the ways to accelerate the calculations to make full dynamical refinements possible in seconds or a few minutes.

Biography

Lukáš Palatinus is a crystallographer and researcher at the Institute of Physics of the Czech Academy of Sciences in Prague, where he leads the Electron Crystallography Group. His research focuses on developing methods for determining atomic structures from three-dimensional electron diffraction (3D ED) data, enabling the structural analysis of crystals that are too small or otherwise challenging for conventional X-ray crystallography.

Originally trained in mineralogy and geochemistry at Charles University in Prague, he completed his doctorate at the University of Bayreuth, Germany, in 2003. He subsequently worked at the École Polytechnique Fédérale de Lausanne (EPFL), Switzerland, where he developed Superflip, a crystallographic structure-solution program. He returned to Prague in 2009 to lead research in electron crystallography.

His contributions include pioneering work on dynamical refinement of electron diffraction data, enabling more accurate determination of atomic structures from nanocrystals. He is also a co-developer of the crystallographic software Jana2020.

His achievements have been recognized through several prestigious awards, including the Erwin Felix Lewy-Bertaut Prize (2009), the Neuron Award for Young Scientists (2017), and the Gjønnes Medal in Electron Crystallography (2026), awarded by the International Union of Crystallography in recognition of outstanding contributions to the field.

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Lukáš Palatinus
Czech Academy of Sciences in Prague
Head of the laboratory of electron crystallography
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Rigaku
Product Marketing Manager SMX
Crystallography times editor

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