Sunday	Monday Hot Topic 1	Tuesday Hot Topic 2	Wednesday Hot Topic 3	Thursday
8:30 – 10:30	Arrival	Elena Boldyreva Mike Probert	Simon Billinge Emil Božin	Christian Bressler	Departure
10:30 – 11:00		Coffee break
11:00 – 13:00		Michael Probert Boris Zakharov Practical Part 1	Matthew Tucker Emil Božin	Michael Först
13:00 – 15:00	Lunch break
15:00 – 17:00	Registration	CrysAlis or APEX software Practical Part 2	RMCProfile and PDFgui Practical Part 1	C. B., M.F.
17:00 – 17:30		Coffee break		Closing remarks
17:30 – 19:00	Opening ceremony	Simon Parsons CrystalExplorer Practical	RMCProfile and PDFgui Practical Part 2	Free time
19:00 – 21:00	Dinner			Farewell dinner

 

Hot Topic 1

Morning session 8:30 – 9:30	chair: Igor Sabljić E. Boldyreva – Intro lecture: Non-Ambient Crystallography: Why and How?
9:30 – 10:30	E. Boldyreva & M. Probert – Practical aspects of HP crystallography – DACs, pressure calibration, data collection and data processing
10:30 – 11:00	Coffee break
11:00 – 12:00	M. Probert & B. Zakharov – How to get the best data from your samples, common pitfalls and experimental adjustments that can improve quality of results
12:00 – 13:00	Practical, Part 1. – Data processing – learning to use data reduction software. Introduction to Rigaku-Oxford Diffraction (CrysAlis) – B. Zakharov, and Bruker (APEX) software – M. Probert
13:00 – 15:00	Lunch
Afternoon session 15:00 – 17:00	chair: Aleksandar Višnjevac Practical, Part 2. Students will be divided into two groups, working either with Rigaku-Oxford Diffraction (CrysAlis) – Boris Zakharov, or Bruker (APEX) software – Mike Probert – for data reduction. Each group will be working on data reduction (determination of the cell parameters, twinning/multicrystal, data integration and primary validation), absorption correction, crystal structure solution and refinement. Examples of the real data collections in DACs will be considered to treat from data reduction to hints on CIF file preparation
17:00 – 17:30	Coffee break
17:30 – 18:30	S. Parsons – Interpretation of High Pressure Crystal Structures
18:30 – 19:30	S. Parsons – CrystalExplorer practical

Evening round-table session: Ask an expert your question

Hot Topic 2

Morning session 8:30 – 9:30	chair: Ana Šantić S. Billinge – Total scattering and atomic pair distribution function analysis: overview and applications
9:30 – 10:30	E. Božin – Total scattering and pair distribution function: formal treatment, data acquisition and reduction
10:30 – 11:00	Coffee break
11:00 – 11:40	M. Tucker – RMCProfile: Strange properties from a local point of view
11:40 – 12:20	E. Božin – PDFgui: Mapping the local phase diagram of metal-insulator transition systems
12:20 – 12:40	M. Tucker – RMCProfile installation and overview
12:40 – 13:00	E. Božin – PDFgui installation and overview
13:00 – 15:00	Lunch
Afternoon session 15:00 – 17:00	chair: Jasminka Popović RMCProfile and PDFgui practical Part 1 – Students will be divided into two groups, carrying out a series of hands-on data modeling exercises either with RMCprofile – big box modeling platform, led by Matthew Tucker and Marshal McDonnell, or with PDFgui – small box modeling platform, led by Simon Billinge and Emil Božin
17:00 – 17:30	Coffee break
17:30 – 19:30	RMCProfile and PDFgui practical Part 2 – The groups will swap at Coffee break and carry out the practical complementary to what they did in Part 1

 

Hot Topic 3

Morning session 8:30 – 10:30	chair: Zoran Štefanić C. Bressler – Bridging the Light Source Generations: Ultrafast Structural Dynamics with New X-ray Observables
10:30 – 11:00	Coffee break
11:00 – 13:00	M. Först – An Ultrafast X-ray View of Nonlineaar Lattice Dynamics and Quantum Phase Control in Complex Oxides
13:00 – 15:00	Lunch
Afternoon session 15:00 – 16:00	chair: Biserka Kojić-Prodić Involving attendees in thinking themselves into ultrafast X-ray experiments: 1) How does an ongoing XFEL experiment look like? (discussion/interaction with a virtual XFEL instrument for chemical dynamics research). 2) When and why would you prefer to use X-radiation in your research instead of simple and accessible methods (optical, etc…)
16:00 – 17:00	How to prepare a scientific proposal for a beamtime at a FEL facility
17:00 – 17:45	Aleksandar Višnjevac – Closing remarks*
17:00 – 19:00	Free time
19:00 – 21:00	Farewell dinner

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Aleksandar Višnjevac – Closing remarks:

Best poster awards:

Crystals best poster award: Jasminka Popović

Dectris best poster award: Ivan Halasz

IUCr best poster award: Ana Šantić

Certificates of attendance will be distributed to all students who attended all lectures and hands-on sessions.
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