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The revolution in materials in the past century was built on a knowledge of the atomic arrangements and the structure-property relationship. The sine qua non for obtaining quantitative structural information is single crystal…

Coherent diffraction imaging enables the imaging of individual defects, such as dislocations or stacking faults, in materials.These defects and their surrounding elastic strain fields have a critical influence on the macroscopic properties…

Modern scanning probe techniques, like scanning tunneling microscopy (STM), provide access to a large amount of data encoding the underlying physics of quantum matter. In this work, we analyze how convolutional neural networks (CNN) can be…

Inorganic crystal materials have broad application potential due to excellent physical and chemical properties, with elastic properties (shear modulus, bulk modulus) crucial for predicting materials' electrical conductivity, thermal…

Scanning X-ray nanodiffraction microscopy is a powerful technique for spatially resolving nanoscale structural morphologies by diffraction contrast. One of the critical challenges in experimental nanodiffraction data analysis is posed by…

Accurately predicting adsorption properties in nanoporous materials using Deep Learning models remains a challenging task. This challenge becomes even more pronounced when attempting to generalize to structures that were not part of the…

Scanning electron microscopy (SEM) is indispensable in diverse applications ranging from microelectronics to food processing because it provides large depth-of-field images with a resolution beyond the optical diffraction limit. However,…

We have developed an image-based convolutional neural network (CNN) that is applicable for quantitative time-resolved measurements of the fragmentation behavior of opaque brittle materials using ultra-high speed optical imaging. This model…

The technique known as 4D-STEM has recently emerged as a powerful tool for the local characterization of crystalline structures in materials, such as cathode materials for Li-ion batteries or perovskite materials for photovoltaics. However,…

Determining the stability of chemical compounds is essential for advancing material discovery. In this study, we introduce a novel deep neural network model designed to predict a crystal's formation energy, which identifies its stability…

We address the identification of grain-corresponding Laue reflections in energy dispersive Laue diffraction (EDLD) experiments by formulating it as a clustering problem solvable through unsupervised machine learning (ML). To achieve…

Single particle imaging (SPI) at X-ray free electron lasers (XFELs) is particularly well suited to determine the 3D structure of particles in their native environment. For a successful reconstruction, diffraction patterns originating from a…

Two-dimensional materials are expected to play an important role in next-generation electronics and optoelectronic devices. Recently, twisted bilayer graphene and transition metal dichalcogenides have attracted significant attention due to…

Advancements in fast electron detectors have enabled the statistically significant sampling of crystal structures on the nanometre scale by means of Scanning Electron Nanobeam Diffraction (SEND). Characterisation of structural similarity…

Automated experimentation with real time data analysis in scanning transmission electron microscopy (STEM) often require end-to-end framework. The four-dimensional scanning transmission electron microscopy (4D-STEM) with high-throughput…

We propose a framework for indexing of grain and sub-grain structures in electron backscatter diffraction (EBSD) images of polycrystalline materials. The framework is based on a previously introduced physics-based forward model by Callahan…

Machine learning models of materials$^{1-5}$ accelerate discovery compared to ab initio methods: deep learning models now reproduce density functional theory (DFT)-calculated results at one hundred thousandths of the cost of DFT$^{6}$. To…

Quantification of microstructures is crucial for understanding processing-structure and structure-property relationships in polycrystalline materials. Delineating grain boundaries in bright-field transmission electron micrographs, however,…

It has been a long-standing materials science challenge to establish structure-property relations in amorphous solids. Here we introduce a rotation-variant local structure representation that enables different predictions for different…

Deep subsurface exploration is important for mining, oil and gas industries, as well as in the assessment of geological units for the disposal of chemical or nuclear waste, or the viability of geothermal energy systems. Typically, detailed…