Modelling

Preliminary support for modelling neutron-scattering data.

The Bragg Institute can offer some help with modelling in order to understand neutron-scattering data. At present we have a modest computing cluster and workstation that have software for molecular modelling, molecular dynamics, lattice dynamics etc. at the force-field and ab initio levels. We also have the utilities to allow the results of these calculations to be compared directly with neutron-scattering data. In most cases we will not be able to offer a full data-analysis, but in those cases where it is clear that modelling can help we will try to “get users started” so that they can continue using their own computing facilities, or central facilities such as APAC. If it is clear that this service will be required then it would be helpful to make this clear on the experimental proposal form. For any further information contact Don Kearley: gordon.kearley@ansto.gov.au. 

Click here to learn more about the analysis of neutron scattering data using modelling methods.