Very preliminary program - Struktura 2025

Monday 8. 9.

11:00 - 13.00     Registration

13:00    Opening

 

  
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 		Fázová analýza půdních sedimentů s ohledem na přítomnost azbestových minerálů
Phase analysis of soil sediments with respect to  presenceasbestos minerals
14.10 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
14.35 Petr Machovec
Faculty of Mathematics and Physics, Charles University, Praha		  
15.00 Esther de Prado
Institute of Physics, Czech Academy of Sciences, Praha		  
15:25 Petr Doležal
Faculty of Mathematics and Physics, Charles University, Praha		  

15.50   Break, refreshment

 

 

 
16:30 Radomír Kužel
Faculty of Mathematics and Physics, Charles University, Praha		 Real structure and total powder pattern fitting
 
17:00 Zdeněk Matěj
Max IV Laboratory, Lund, Švédsko		 Possibillities of MSTRUCT, introduction to MSTRUCT course
 

 

 
16:30 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)

19.15 Dinner

20.30  Courses

Tuesday 9. 9.

7.00    Breakfast

 

  
 8.30 Stanislav Daniš
Faculty of Mathematics and Physics, Charles University, Praha

téma: některé vědecké objevy posledních let, neuronové sítě
topics: some recent scientific discoveries, neuron networks, machine learning

9.15

 Jiří Zelenka
Faculty of Nuclear Sciences and Physical Engineering,
Czech Technical University, Praha		 Využití neuronové sítě při řešení struktur
Use of neuron networks for structure solution

9.50

 Vojtěch Chlan
Faculty of Mathematics and Physics, Charles University, Praha		 Solid-state NMR

10.30   Break, refreshment

 

 

  
11.00 Michal Hušák
VŠCHT Praha		 Databáze struktur validovaných DFT výpočtem. Ukázka software checkCIF-DTF, validace struktury
Database of structures validated by DTF calcalations
11.45 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
 
12.15 Jan Rohlíček
Institute of Physics, Czech Academy of Sciences, Praha		 Použití mezimolekulárních restrikcí při řešení struktury z prášku
Use of intermolecular constraints at structure solution

12.30 Lunch

 

  
 14.00 Jan Dohnálek
Institute of Biotechnology, Czech Academy of Sciences, Vestec		 Information on protonation in biomolecular structures

14.20

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

14.40

 Jindřich Hašek
Institute of Biotechnology, Czech Academy of Sciences, Vestec		 Crystallization of biomolecules

15.00 

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

15.40 Break, refreshment

   

16.10

 Barbora Kaščáková
Faculty of Science, University of South Bohemia in České Budějovice		  

16.30

 Petra Havlíčková
Faculty of Science, University of South Bohemia in České Budějovice		  

16.50
Faculty of Science, University of South Bohemia in České Budějovice		  

17.10
Faculty of Science, University of South Bohemia in České Budějovice		  

 

   

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

17.45

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

 

19.15    Dinner

20.30    Meeting of CSCA board 

Wednesday 10. 9.

7.00    Breakfast

 

 

  
8.30 Václav Holý
Faculty of Mathematics and Physics, Charles University, Praha		  Hard x-rays with orbital momentum, properties and dynamical diffraction
9.15 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
9.40 Milan Dopita
Faculty of Mathematics and Physics, Charles University, Praha		  
10.10 Jiří Špringer
Anton Paar		 Anton Paar, SAXSpoint 500/700 - nová zařízení pro malúhlový rozptyl

10.30   Break, refreshment

 

 

  
11.00  Radomír Kužel
Faculty of Mathematics and Physics, Charles University, Praha		 Free and commercial structural databases
11.30  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
12.00  Zdeněk Matěj
Max IV Laboratory, Lund, Švédsko		 Basic crystallographic algorithms in the ML language
12.30 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

13.00 Lunch

14.30  Afternoon program - excursion in the first and the largest  museum of American cars and brewery in Nová Bystřice

20.00 Raut

 

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
11.50 Olena Levytska
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
12.10 Gergely Farkas
Institute of Nuclear Physics, Czech Academy of Sciences, Řež		 Experimental determination of critical resolved shear stresses by neutron diffraction
 
 
12:30    Lunch
 

Neutron Science in Czech Republic 2

Pavel Strunz 
14.00 Vasyl Ryukhtin
Institute of Nuclear Physics, Czech Academy of Sciences, Řež		 Studies of the reverse osmosis of desalination using neutrons
14.20 Filip Hájek
Faculty of Mathematics and Physics, Charles University, Praha		 Novel pyrochlore-derived structure in rare-earth iridate single crystals
14.40 David Sviták
Faculty of Mathematics and Physics, Charles University, Praha		 Magnetic structure and excitations in the antiferromagnet Na2BaMn(PO4)2
15.00 Romain Conan
Faculty of Science, Charles University, Praha		 Magnetic correlation in functionalized supraparticles
15.20 Štefan Hricov
Faculty of Science, Charles University, Praha		 Magnetic morphology of multishell nanoparticles

15:40 Break, refreshment

 

 

  
16.10 Petr Cejpek
Bergakademie Freiberg, Germany		 Residual stress and microstrain evaluation in Matlab GUI application
16.30 Ubaid Ahmed
Institute of Physics, Czech Academy of Sciences, Praha		 Effect of Heat Treatment on Ti6Al4V porosity and micromechanical behavior
16.50 Jaromír Kopeček
Institute of Physics, Czech Academy of Sciences, Praha		 Mikrostruktura měděných rotačně kovaných tyčí s příměsí uhlíkaté frakce
17.10 Jan Drahokoupil
Institute of Physics, Czech Academy of Sciences, Praha
Miroslav Lebeda
Faculty of Nuclear Sciences and Physical Engineering, CTU Prague		 Mace course

18.00    Dinner

 

Friday 12. 9.

7.00 Breakfast

 

 

  
9.00 Radomír Kužel
Faculty of Mathematics and Physics, Charles University, Praha		 Thin films of hexaferrites, Y-phase
9.25 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.