Simulation of atomic-resolution image formation in scanning transmission electron microscopy can require significant computation times using traditional methods. A recently developed method, termed plane-wave reciprocal-space interpolated scattering matrix (PRISM), demonstrates potential for significant acceleration of such simulations with negligible loss of accuracy. Here, we present a software package called Prismatic for parallelized simulation of image formation in scanning transmission electron microscopy (STEM) using both the PRISM and multislice methods. By distributing the workload between multiple CUDA-enabled GPUs and multicore processors, accelerations as high as 1000 × for PRISM and 15 × for multislice are achieved relative to traditional multislice implementations using a single 4-GPU machine. We demonstrate a potentially important application of Prismatic, using it to compute images for atomic electron tomography at sufficient speeds to include in the reconstruction pipeline. Prismatic is freely available both as an open-source CUDA/C++ package with a graphical user interface and as a Python package, PyPrismatic.
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机译：使用传统方法，在扫描透射电子显微镜中模拟原子分辨率图像可能需要大量的计算时间。最近开发的一种称为平面波倒数空间内插散射矩阵（PRISM）的方法证明了此类仿真显着加速的潜力，而精度损失可忽略不计。在这里，我们介绍了一个名为Prismatic的软件包，用于同时使用PRISM和多层方法在扫描透射电子显微镜（STEM）中并行成像模拟。通过在支持多个CUDA的GPU和多核处理器之间分配工作负载，相对于使用一台4-GPU机器的传统多切片实现，PRISM的加速高达1000×，多层的加速高达15×。我们展示了Prismatic的潜在重要应用，利用它可以以足够的速度计算原子电子断层扫描的图像，以使其包含在重建管线中。 Prismatic可作为具有图形用户界面的开源CUDA / C ++软件包和Python软件包PyPrismatic免费获得。
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