Efficient GPU-accelerated Monte Carlo simulation for x-ray diffraction imaging with spectroscopic detector modeling

We developed an efficient GPU-accelerated Monte Carlo simulation program specialized for X-ray diffraction imaging (XRDI), where molecular interference in coherent scattering takes effect. Besides, multiple non-ideal factors such as charge sharing, charge collection efficiency and ballistic deficit are incorporated in the photon detection and spectrum measurement process. We carried out simulations of pencil beam and coded aperture XRDI to demonstrate the effectiveness of our program. The computation speed shows acceleration of more than 500 times compared to the CPU simulation code.