Monday 26.10

Tuesday 27.10

Wednesday 28.10

Thursday 29.10

Friday 30.10

12:00 – 15:00

Aram Bugaev

“Rietveld Refinement: From simple examples to parametric fitting of big datasets”

11:00 – 13:00

Joint KU Leuven - SFedU seminar "Rational design of Pd- and Ru-based catalysts"

11-00. General introduction on the activities of Prof. Dirk E. de Vos group

11-15. Niels Van Velthoven. S,O-Functionalized Metal-Organic Frameworks as Heterogeneous Single-Site Catalysts for the Oxidative Alkenylation of Arenes via C-H activation.

11-40. Kwinten Janssens. Olefins from Biobased Sugar Alcohols via Selective, Ru-mediated reaction in Catalytic Phosphonium Ionic Liquids.

12-05. Elizaveta Kozyr. Machine-learning based analysis of XAS spectra of Ru complexes.

12-25. Vera Butova. Synthesis of Pd-based MOFs and novel molecular complexes.

12:00 – 14:00

Lukas Lätsch, Christopher Gordon

(ETH, Zurich)

“NMR chemical shift as a descriptor for electronic structure and reactivity”

“NMR case studies: applied group theory and orbital analysis”

12:00 – 14:00

Andrea Martini

(University of Torino)

“Principal component analysis versus linear combination fit”

12:00 – 14:00

Sergey Guda

“Recent developments in PyfitIt”

14:00 – 17:00

Danil Pashkov

“Python for your research”.

Queries are welcome!

16:00 – 17:00

A. Bezrukov (KSTU)

“Microfluidics for research and educational purposes”

17:00 – 19:00

Sergey Guda

“Introduction to the machine learning”

15:00 – 17:00

Oleg Usoltsev,

Danil Pashkov

Work in Python.

“A guide to apply machine learning algorithm to a dataset of spectra”

15:00 – 17:00

Alexander Guda

“Finite difference and molecular orbital approaches for XANES calculations”

15:00 – 18:00

All together

“Brainstorm for your data and problems”

Queries are welcome!