Related papers: Solution of the crystallographic phase problem by …
Computational prediction of stable crystal structures has a profound impact on the large-scale discovery of novel functional materials. However, predicting the crystal structure solely from a material's composition or formula is a promising…
Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one…
One of the great challenges of modern science is to faithfully model, and understand, matter at a wide range of scales. Starting with atoms, the vastness of the space of possible configurations poses a formidable challenge to any simulation…
A unified method for three-dimensional reconstruction of objects from transmission images collected at multiple illumination directions is described. The method may be applicable to experimental conditions relevant to absorption-based,…
Ptychography is a popular technique to achieve diffraction limited resolution images of a two or three dimensional sample using high frame rate detectors. We introduce a relaxation of common projection algorithms to account for…
Data-driven machine learning methods have the potential to dramatically accelerate the rate of materials design over conventional human-guided approaches. These methods would help identify or, in the case of generative models, even create…
We consider the problem of constructing quantum operations or channels, if they exist, that transform a given set of quantum states $\{\rho_1, \dots, \rho_k\}$ to another such set $\{\hat\rho_1, \dots, \hat\rho_k\}$. In other words, we must…
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…
Crystallographic symmetry classifications from real-world images with periodicities in two dimensions (2D) are of interest to crystallographers and practitioners of computer vision studies alike. Currently, these classifications are…
Advanced phase-field techniques have been applied to address various aspects of polycrystalline solidification including different modes of crystal nucleation. The height of the nucleation barrier has been determined by solving the…
To determine crystal structures from an X-ray diffraction (XRD) pattern containing multiple unknown phases, a data-assimilated crystal growth (DACG) simulation method has been developed. The XRD penalty function selectively stabilizes the…
Diffraction of atoms from surfaces provides detailed insights into structures, interactions, and dynamical processes. However, currently the method is limited to measurements in reflection - diffraction through materials has only been…
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.…
Materials identification and structural understanding from powder X-ray diffraction (PXRD) data is a long-standing challenge in materials science, fundamental to discovering and characterizing novel materials. A prerequisite for full…
Calculations of the Fourier transform of a constant quantity over an area or volume defined by polygons (connected vertices) are often useful in modeling wave scattering, or in fourier-space filtering of real-space vector-based volumes and…
The current ghost imaging phase reconstruction schemes require either complex optical systems, Fourier transform steps, or iterative algorithms, which may increase the difficulty of system design, cause phase retrieval error or take too…
Fourier Ptychography is a recently proposed imaging technique that yields high-resolution images by computationally transcending the diffraction blur of an optical system. At the crux of this method is the phase retrieval algorithm, which…
A novel method for fast information retrieval from a probe storage device is considered. It is shown that information can be stored and retrieved using the optical diffraction patterns obtained by the illumination of a large array of…
Phase reconstruction is important in transmission electron microscopy for structural studies. We describe electron Fourier ptychography and its application to phase reconstruction of both radiation-resistant and beam-sensitive materials. We…
Atom interferometers are sensitive to a wide range of forces by encoding their signals in interference patterns of matter waves. To estimate the magnitude of these forces, the underlying phase shifts they imprint on the atoms must be…