D5.1 – Prototype simulation data formats as openPMD domain specific extensions including example datasets

D5.1 details the metadata standard extensions for simulation data developed in WP5 of the Photon and Neutron Open Science Cloud (PaNOSC). The openPMD standard in its current version 1.1 is the basis on which we have developed domain specific extensions for the simulation stages of start–to–end photon and neutron experiment simulations:

  • Coherent wavefront propagation (simulation of coherent lightsources and beam transport)
  • Photon raytracing (simulation of x–ray optical beamline components, incoherent sources)
  • Neutron raytracing (simulation of neutron beamlines)
  • Molecular dynamics simulations (target simulations, radiation–matter interaction)
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