Day 1: Materials Sciences (Materials Studio)





09:30 Registration & Refreshments
10:00 Introduction to Accelrys and the Polish National License

Dr Marc Meunier on behalf of Karen Luckman, Accelrys

10:15 What’s new in MS 7.0! General demonstration of Materials Studio 7.0
Dr Marc Meunier, Accelrys


Modernizing materials research - Accelrys Notebook
Dr Marc Meunier, Accelrys
11:30 Coffee Break

Molecular modelling of a template substitute and monomers used in molecular imprinting for aflatoxin micro-HPLC analysis
Dr Miroslaw Wyszomirski,  Faculty of Materials and Environmental Sciences,  University of Bielsko-Biala


NMR Crystallography and molecular dynamic evaluation for structures using GIPAW methodology
Dr Tomasz Pawlak, Centre of Molecular and Macromolecular Studies, Polish Academy of Sciences


The CASTEP application to modelling an electronic properties of nanocrystal and native crystal materials
Dr. Małgorzata Makowska-Janusik, Institute of Physics, Jan Dlugosz University in Częstochow

13.00 Lunch
14.00 Presentation
Dr Patryk Zaleski-Ejgierd, IChF PAN
14.25 Workshop, hands-on session
16.30 Close of Day 1