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A open educational resource to help users of scattering and diffraction understand classical simulation
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The interaction between simulation and scattering


The is the repository for the open educational resource (OER) entitled "The interaction between simulation and scattering". This resource is designed to introduce users of scattering and diffraction techniques to the methods of classical simulation and molecular dynamics. The resource is currently hosted at

Sharing this resource

The material within this OER is shared under a CC BY 4.0 license, while the jupyter-book software that is used to build the resource is shared under an MIT license This means that anyone is free to copy and redistribute the material within the resource in any medium or format and welcome to remix, transform, and build upon the material for any purpose, even commercially. Basically you can do whatever you want with it, although we would appreciate if you would reference the original resource if you use it. Please use the references below (associated with the publication and the resource respectively).

McCluskey, A. R.; Grant, J.; Symington, A. R.; Snow, T.; Doutch, J.; Morgan, B. J.; Parker, S. C.; Edler, K. J. J Appl. Crystallogr. 2019, 52 (3). 10.1107/S1600576719004333

McCluskey, A. R.; Grant, J.; Symington, A. R.; Snow, T.; Doutch, J.; Morgan, B. J.; Parker, S. C.; Edler, K. J. 10.5281/zenodo.2556824

Contributing to this resource

We welcome all contributions. The content of the webpages can be changed by editing the notebooks and markdown files the content directory. The ordering of the content is controlled by data/toc.yml. Pleaase feel free to make a pull request with your changes and we will try and review them ASAP.


The resource was originally developed by Andrew R. McCluskey during his PhD at the University of Bath and Diamond Light Source. The following people contributed substantially to the resource:


A. R. M. is grateful to the University of Bath and Diamond Light Source for co-funding a studentship (Studentship No. STU0149). B. J. M. acknowledges support from the Royal Society (Grant No. UF130329). This OER was built on the jupyter-book platform and much of the functionality we have is due to that framework.

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