symmy596/sim_and_scat

The interaction between simulation and scattering

Andrew R. McCluskey,^1,2 Adam R. Symington,¹ J. F. Timothy B. Snow,^2,3 James Grant,⁴ Benjamin J. Morgan,¹ Stephen C. Parker,¹ and Karen J. Edler¹

¹ Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY, UK.
² Diamond Light Source, Diamond House, Rutherford Appleton Laboratory, Harwell Oxford, OX11 0DE, UK.
³ School of Chemistry, University of Bristol, Bristol, BS8 1TS, UK.
⁴ Computing Services, University of Bath, Claverton Down, Bath, BA2 7AY, UK.

This is the repository for an open educational resource designed to introduce users of scattering and diffraction to molecular simulation. This is inspired by the popularity of molecular dynamics simulations as a tool to aid in the analysis of scattering experiments.

The resource can be found online at arm61.github.io/sim_and_scat/00_schedule.html.

Paper reference	To come
Zenodo DOI	To come
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Acknowledgements

ARM is grateful to the University of Bath and Diamond Light Source for co-funding a studentship (Studentship Number STU0149). BJM acknowledges support from the Royal Society (Grant No. UF130329).