Preliminary program - Struktura 2025

Monday 8. 9.

11:00 - 13.00     Registration

13:00    Opening

 

Milan Dopita, Jaromír Kopeček

13.15 František Laufek
Czech geological survey, Praha
Minerals within the Pd-Ni-As system: Crystal structures
13.45 Zdeněk Jansa
New technologies - Research center, University of West Bohemia
Phase analysis of soil sediments with regard to the presence of asbestos minerals
14.10 Cristian Pilloni
Faculty of Sciemce, Charles University, Prague
Properties of Schwertmannite: The Critical Role of Phase Purity
14.35 Esther de Prado
Institute of Physics, Czech Academy of Sciences, Praha
Improving thermoelectric efficiency of multilayer ScN/Sc1-xNbxN heterostructures by Nb doping
15.00 Jan Drahokoupil
Institute of Physics, Czech Academy of Sciences, Praha
Tenké vrstvy BaTiO3/LaNiO3: od difrakce k počítačovým simulacím.
Thin films BaTiO3/LaNiO3: from diffraction to computer simulations

15.25   Break, refreshment

 

Stanislav Daniš, Nikolaj Ganev

15.50 Petr Machovec
Faculty of Mathematics and Physics, Charles University, Praha
Halide Segregation in Mixed-Halide Perovskites studied by XRD
16.15 Dominik Farka
Faculty of Science, University of South Bohemia in České Budějovice
Thiophene-Based Conductive Polymers: Structural Order vs. Charge-Transport
16.40 Petr Doležal
Faculty of Mathematics and Physics, Charles University, Praha
Polymorphs of ZnxCu4-x(OH)6Cl2 and their physical properties
17.05 Jamil Eduardo Flores Gonzales
Institute of Physics, Czech Academy of Sciences, Praha
Diffuse scattering in (K,Na)NbO3 solid solutions
 

 

 

17.30 Radomír Kužel
Faculty of Mathematics and Physics, Charles University, Praha
Real structure and total powder pattern fitting
(see Struktura 2018 or in journal MS)
17:50 Zdeněk Matěj
Max IV Laboratory, Lund, Švédsko
Possibillities of MSTRUCT, introduction to MSTRUCT course
 

 

 

17:30 Petr Kolenko
Faculty of Nuclear Sciences and Physical Engineering
,
Czech Technical University, Praha
Introduction to Moorhen short course

MSTRUct course
Moorhen course
(see at the bottom)

19.30 Dinner

20.30  Courses


Tuesday 9. 9.

7.00    Breakfast

 

Václav Holý

 8.30 Stanislav Daniš
Faculty of Mathematics and Physics, Charles University, Praha
Data a co snimi
Data and what to do with it

9.15

Vojtěch Chlan
Faculty of Mathematics and Physics, Charles University, Praha
Nuclear magnetic resonance in solids

10.00

Lukáš Horák
Faculty of Mathematics and Physics, Charles University, Praha
Selected examples in X-ray reflectometry

10.30   Break, refreshment

 

 

Jaroslav Maixner

11.00 Michal Dušek
Institute of Physics, Czech Academy of Sciences, Praha
První zkušenosti s monokrystalovým difraktometrem Synergy R
First experience with single crystal diffractometer Synergy R
11.25 Jiří Zelenka
Institute of Physics, Czech Academy of Sciences, Praha
Interpretation of Electron Density Maps Using Neural Networks
11.50 Jan Rohlíček
Institute of Physics, Czech Academy of Sciences, Praha
Use of intermolecular distances in solving structures from powders

12.20 Lunch

 

Petr Pachl, Petr Kolenko

14.00

Jindřich Hašek
Institute of Biotechnology, Czech Academy of Sciences, Vestec
Crystallization of biomolecules
 14.30 Jan Dohnálek
Institute of Biotechnology, Czech Academy of Sciences, Vestec
Information on protonation in biomolecular structures

14.55

Bohdan Schneider
Institute of Biotechnology, Czech Academy of Sciences, Vestec
Advances in annotation and validation of nucleic acids

15.20 

Jiří Brynda
Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Praha
Crystal structure of blue laccase BP76, a unique termite suicidal defense weapon

15.45 Break, refreshment

 

Jan Dohnálek, Bohdan Schneider

 16.15 Petr Kolenko
Faculty of Nuclear Sciences and Physical Engineering,
Czech Technical University, Praha
Crystal Structure of PROSS-edited Human Interleukin 24

16.40

Barbora Kaščáková
Faculty of Science, University of South Bohemia in České Budějovice
Characterization of PROTAC-508: A Cereblon-Recruiting Degrader of Enteroviral 2A Protease

16.55

Petra Havlíčková
Faculty of Science, University of South Bohemia in České Budějovice
Beyond Oncogenes: How Ras–MAPK Variants Influence Neurodevelopment

 

   

17.30

Radomír Kužel
Faculty of Mathematics and Physics, Charles University, Praha
Informace o přípravách ECM-36 v Praze v roce 2027
Information on preparation of ECM-36

17.40

Jan Walla, Boris Míč
Měřící technika Morava
Ukázka stolního dikraktometru D6 PHASER
A short workshop on use of table-top diffractometer D6 PHASER

 

19.20    Dinner

20.30    Meeting of CSCA board 


Wednesday 10. 9.

7.00    Breakfast

 

 

Daniel Šimek

8.30 Václav Holý
Faculty of Mathematics and Physics, Charles University, Praha
 Hard x-rays with orbital momentum, properties and dynamical diffraction
9.10 Jozef Bednarčík
University of  P.J. Šafárik, Košice
Štúdium lokálnej atomárnej štruktúry neusporiadaných materiálov pomocou in-situ synchrotrónových experimentov
Study of local atomic arrangement of disordered materials witth in-situ synchrotron experiments
9.35 Milan Dopita
Faculty of Mathematics and Physics, Charles University, Praha
Light-Induced Phase Segregation and Structural Relaxation in Mixed-Halide Perovskites. FeOH nanoparticles
10.00 Jiří Špringer
Anton Paar
Anton Paar, SAXSpoint 500/700 - new equipment for small-angle scattering
10.20 Szymon Stolarek
Xenocs, SAS
Enabling Nanoscale Insight: Advanced X-ray Scattering Solutions from Xenocs

10.40   Break, refreshment

 

 

Jan Rohlíček, Michal Dušek

11.10 Pawel Olowek
Rigaku
XSPA: the future of XRD
11.30 Stjepan Prugovečki
Panalytical
New functions of XRD Empyrean
11.50  Miroslav Lebeda
Faculty of Nuclear Sciences and Physical Engineering, CTU Prague
XRDlicious: An Online Tool for Powder Diffraction Pattern and RDF Simulation from Crystal Structures
12.15  Zdeněk Matěj
Max IV Laboratory, Lund, Švédsko
Basic crystallographic algorithms in the ML language
12.44 Jan Drahokoupil
Institute of Physics, Czech Academy of Sciences, Praha
Miroslav Lebeda

Faculty of Nuclear Sciences and Physical Engineering, CTU Prague
Introduction to Mace course

13.15 Lunch

14.30 CSCA assembly 

16.00-18.00 Excursion in the first and the largest  museum of American cars and brewery in Nová Bystřice

20.00 Raut in Welness Pension Life in Číměř

 


Thursday 11. 9.

7.00 Breakfast

 

Large European Neutron Facilities

Milan Klicpera

8.30 Mark Johnson
ILL Grenoble
Institute Laue-Langevin - instrument and infrastructure upgrades, the science strategy and new research opportunities
9.10 Michael Hofmann
MLZ, Munich, Germany
Diffraction at MLZ
9.50 Přemysl Beran
ESS, Lund
ESS News and first science oportunities
10.30 Break, refreshment
 

Neutron Science in Czech Republic 1

Přemysl Beran 

11.00 Jan Šaroun
Institute of nuclear physics, Czech Academy of Sciences, Řež
Neutron diffraction laboratory in Řež and its user program
11.20 Milan Klicpera
Faculty of Mathematics and Physics, Charles University, Praha
Czech neutron association - establishment, mission, and objectives
11.30 Pavel Strunz
Institute of Nuclear Physics, Czech Academy of Sciences, Řež
Residual-stress distribution in components fabricated with involvement of additive manufacturing
  Olena Levytska, Pavel Strunz
Institute of Nuclear Physics, Czech Academy of Sciences, Řež
Validation of contour cut model for residual stresses in AM-repaired simulated defect by neutron diffraction
12.00 Jiří Kulda
ILL Grenoble, France
Pump-probe inelastic neutron scattering experiments
 
 
12:30    Lunch
 

Neutron Science in Czech Republic 2

Pavel Strunz 

14.00 Gergely Farkas
Institute of Nuclear Physics, Czech Academy of Sciences, Řež
Experimental determination of critical resolved shear stresses by neutron diffraction
14.20 Vasyl Ryukhtin
Institute of Nuclear Physics, Czech Academy of Sciences, Řež
Investigations of vortex lattices and skyrmions using neutron scattering
14.40 Filip Hájek
Faculty of Mathematics and Physics, Charles University, Praha
Novel pyrochlore-derived structure in rare-earth iridate single crystals
15.00 David Sviták
Faculty of Mathematics and Physics, Charles University, Praha
Magnetic structure and excitations in the antiferromagnet Na2BaMn(PO4)2
15.20 Romain Conan
Faculty of Science, Charles University, Praha
Magnetic correlation in functionalized supraparticles
15.40 Štefan Hricov
Faculty of Mathematics and Physics, Charles University, Praha
Magnetic morphology of multishell nanoparticles

16:00 Break, refreshment

 

 

Zdeněk Matěj, Pavla Roupcová

16.20 Štepán Venclík
Faculty of Mathematics and Physics, Charles University, Praha
LaueDB: A dataset for Laue patterns
16.40 Petr Cejpek
Institute of Physics, Czech Academy of Sciences, Praha
PSB_GUI – Matlab routine for the refinement of residual stresses, microstrain and crystallite shape in cubic materials
17.00 Ubaid Ahmed
Institute of Physics, Czech Academy of Sciences, Praha
Effect of Heat Treatment on Ti6Al4V porosity and micromechanical behavior
17.20 Jaromír Kopeček
Institute of Physics, Czech Academy of Sciences, Praha
Mikrostruktura měděných rotačně kovaných tyčí s příměsí uhlíkaté frakce
17.40 Jan Drahokoupil
Institute of Physics, Czech Academy of Sciences, Praha
Miroslav Lebeda

Faculty of Nuclear Sciences and Physical Engineering, CTU Prague
Mace course

19.30    Dinner


 

Friday 12. 9.

7.00 Breakfast

 

 

 
9.00 Radomír Kužel
Faculty of Mathematics and Physics, Charles University, Praha
Y-hexaferrite thin films deposited by chemical solution deposition on different substrates studied by XRD
9.30 Possible continuation of courses MSTRUCt, MACE  

 

Courses

Moorhen
Lucrezia Catapano, Petr Kolenko

Moorhen is a modern, web-based application that brings the powerful functionalities of the Coot model-building software to the browser. Built with React and leveraging the libcoot API, Moorhen offers an intuitive, interactive graphical interface for macromolecular model building, refinement, and validation.
Moorhen enables users to perform interactive model editing, refinement, and the creation of high-quality figures directly in the browser—without the need to install additional software. All visualisation and refinement calculations are executed client-side, delivering a seamless experience with near-native performance.

Moorhen is available as a standalone web app at moorhen.org and is also integrated into the CCP4 Cloud graphical user interface (GUI) and the CCPEM Doppio interface.
The introductory tutorial will demonstrate the full range of tools available in Moorhen for real-space refinement—including features such as auto-fit rotamer, peptide flipping, and other model optimization functions. It will also cover the integrated validation tools, ligand fitting workflows, and strategies for creating high-quality figures directly within the browser.

MSTRUCT
Zdeněk Matěj, Milan Dopita, Lukáš Horák

Free software for refinement of real structure from powder diffraction data (crystallite size and distribution, microstrain, dislocation density, residual stresses) possible texture and crystal structure constraints

mace-md-gui
Miroslav Lebeda, Jan Drahokoupil

Run basic molecular dynamics/static simulations (single-point energy, geometry optimization, elastic properties, phonons) in an interactive interface for multiple input structure files (POSCAR, CIF, LMP, XYZ with lattice) with a machine learning MACE MP interatomic potential.