Empirical potential structure refinement workshop

Thursday 10 November 2011, 09:00
Spatial density of water

Spatial density of water (inner shell left, second shell right) around a central water molecule in pure water (top) and concentrated sodium chloride (bottom).
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An introduction to EPSR software, complemented by presentations illustrating applications from nanoscale structure refinement to joint neutron and X-ray data modelling.

EPSR is a Monte Carlo based modelling program that allows the reconstruction of a 3D model of the molecular liquids and glasses from diffraction data.

The two day EPSR workshop will introduce the latest version of the software and provide tutorial assistance in the basic operation of the codes. The training aspects of the workshop will be complemented by a selection of scientific presentations to illustrate some of the growing number of diverse applications of the method, such as nanoscale structure refinement and joint neutron and X-ray data modelling.

Workshop participants will be expected to bring their own laptop computer on which the software package can be installed and the tutorial exercises undertaken. Please contact us for approval if the operating system of your computer is not a variant of Microsoft Windows.

Contact Carole Denning to register.

Event type Seminar
Start date and time Thursday 10 November 2011, 09:00
End Friday 11 November 2011, 17:00
Location CR16/17 Target Station 2, R80, Rutherford Appleton Laboratory
Maximum Audience 150
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