Diffsim cover art.png

What is DiffSim?

DiffSim provides an atomistic approach to efficiently simulate Bragg coherent x-ray diffraction imaging (BCDI) diffraction patterns by factorising and eliminating certain redundancies in the conventional approach. The method used is able to reduce the computation time by several orders of magnitude without compromising the recovered phase information and therefore enables feasible atomistic simulations on nanoscale crystals with arbitrary lattice distortions.

Further insight into the method is found in the following article:

Ahmed Mokhtar, David Serban and Marcus Newton, Simulation of Bragg coherent diffraction imaging, J. Phys. Commun. Volume 6, 055003 (2022)

DiffSim is written in Python and can utilise CPU, MPI and GPU acceleration.


Official releases are available for download here.


M. Newton

A. Mokhtar