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The DXRD program suite consisting of a series of dynamical-theory programs is introduced for computing dynamical X-ray diffraction from single crystals. Its interactive graphic user interfaces (GUIs) allow general users to make complicated…
Despite advancements in electron backscatter diffraction (EBSD) detector speeds, the acquisition rates of 4-Dimensional (4D) EBSD data, i.e., a collection of 2-dimensional (2D) diffraction maps for every position of a convergent electron…
Modern imaging techniques at the molecular scale rely on utilizing novel coherent light sources like X-ray free electron lasers for the ultimate goal of visualizing such objects as individual biomolecules rather than crystals. Here, unlike…
The increasing importance of artificial intelligence and machine learning in materials research has created demand for automated, high-throughput characterization techniques capable of rapidly generating large data sets. We describe here a…
We describe the InfraRed Data Reduction (IRDR) software package, a small ANSI C library of fast image processing routines for automated pipeline reduction of infrared (dithered) observations. We developed the software to satisfy certain…
We present a few recent developments in the field of electron backscatter diffraction (EBSD). We highlight how open source algorithms and open data formats can be used to rapidly to develop microstructural insight of materials. We include…
Diffusion models have become a successful approach for solving various image inverse problems by providing a powerful diffusion prior. Many studies tried to combine the measurement into diffusion by score function replacement, matrix…
Modern technology for producing extremely bright and coherent X-ray laser pulses provides the possibility to acquire a large number of diffraction patterns from individual biological nanoparticles, including proteins, viruses, and DNA.…
Automation can transform productivity in research activities that use liquid handling, such as organic synthesis, but it has made less impact in materials laboratories, which require sample preparation steps and a range of solid-state…
This paper describes a physics-based end-to-end software simulation for image systems. We use the software to explore sensors designed to enhance performance in high dynamic range (HDR) environments, such as driving through daytime tunnels…
Determining crystal structures from experimental powder X-ray diffraction data remains challenging because peak overlap, preferred orientation, and impurity phases obscure atomic arrangements. We present RealPXRD-Solver, a generative model…
Scientists are drawn to synchrotrons and accelerator based light sources because of their brightness, coherence and flux. The rate of improvement in brightness and detector technology has outpaced Moore's law growth seen for computers,…
The information content of crystalline materials becomes astronomical when collective electronic behavior and their fluctuations are taken into account. In the past decade, improvements in source brightness and detector technology at modern…
Scanning transmission electron microscopy (STEM) has a broad range of applications in materials characterization, including real-space imaging, spectroscopy, and diffraction, at length scales from the micron to sub-{\AA}ngstr\"om. The…
Ultrafast electron diffraction and phonon-diffuse scattering (UED(S)) experiments make use of photo-induced changes to electron scattering intensity across 2D detectors to report on a very wide range of dynamic structural phenomena in…
We present a new Python pipeline for processing data from astronomical long-slit spectroscopy observations recorded with CCD detectors. The pipeline is designed to aim for simplicity, manual execution, transparency and robustness. The goal…
Exascale computing delivers the raw power to simulate ever larger and more chemically realistic systems, but realizing this potential requires codes that can efficiently use thousands of processors. Our real-space multigrid (RMG) density…
Autonomous synthesis and characterization of inorganic materials requires the automatic and accurate analysis of X-ray diffraction spectra. For this task, we designed a probabilistic deep learning algorithm to identify complex multi-phase…
Machine learning techniques are being increasingly applied in medical and physical sciences across a variety of imaging modalities; however, an important issue when developing these tools is the availability of good quality training data.…
Generative diffusion models have achieved remarkable success in producing high-quality images. However, these models typically operate in continuous intensity spaces, diffusing independently across pixels and color channels. As a result,…