Event Name

MDANSE2014 School - Molecular Dynamics (and Lattice Dynamics) to Analyse Neutron Scattering Experiments

Start Date 9th May 2014
End Date 10th May 2014

MDANSE school 2014: Molecular Dynamics to Analyse Neutron Scattering Experiments

This school aims to train the participants in the use of modern simulation tools in the context of analyzing and interpreting experimental, neutron scattering data. It will be focused mainly on practical training, so the number of participants is limited to 30. Taking into account the QENS2014 and WINS 2014 conferences in the nearby location of Autrans from May 11 to May 16 (http://www.ill.eu/news-events/events/qens-2014-wins-2014/), the school will be a satellite event. Therefore the school will be focused on the use of Molecular Dynamics simulations to explore diffusive processes on the time scales covered by quasielastic neutron scattering spectrometers and Lattice Dynamics to study phonon dispersion curves and vibrational densities of states that are typically measured with inelastic neutron scattering spectrometers.
The goal of this school is therefore to show how widely-available simulation tools can be applied to the analysis and interpretation of neutron scattering data. The school will last 2 days and will concern mainly the practical aspects of running and analyzing simulations so that, firstly, numerical and experimental data can be directly compared and, secondly, simulations can then be investigated in atomic detail. A range of simulation codes allowing electronically complex materials, molecular and polymer systems, porous media and bio-molecules to be handled, will be made available to participants on the cluster at ILL. Simulation analysis will focus on using the nMoldyn code. McStas will be used to incorporate the instrument response in a virtual experiment. Model analysis and fitting tools applicable both to simulated and experimental data will also be presented. Lectures on the fundamental aspects of running and analyzing simulations will be complemented by hands-on tutorials.
Location ILL, Grenoble
Contact MDANSE 2014
URL http://www.ill.eu/mdanse2014/

Category Schools
Topics Computing | Neutron scattering