Related papers: Ab initio structure solution by charge flipping

X-ray fluorescence holography (XFH) is a method for obtaining diffraction-limited images of the local atomic structure around a given type of emitter. The reconstructed wave-field represents a distorted image of the scatterer electron…

X-ray Bragg coherent diffraction imaging has been demonstrated as a powerful three-dimensional (3D) microscopy approach for the investigation of sub-micrometer-scale crystalline particles. It is based on the measurement of a series of…

We develop a novel wave imaging scheme for reconstructing the shape of an inhomogeneous scatterer and we consider the inverse acoustic obstacle scattering problem as a prototype model for our study. There exists a wealth of reconstruction…

We introduce a rapid data acquisition and reconstruction method to image the crystalline structure of materials and associated strain and orientations at micrometer resolution using Laue diffraction. Our method relies on scanning a…

The geometric design of structures with optimized physical and chemical properties is one of the core topics in materials science. However, designing new functional materials is challenging due to the vast number of existing and the…

We consider an inverse source problem for partially coherent light propagating in the Fresnel regime. The data is the coherence of the field measured away from the source. The reconstruction is based on a minimum residue formulation, which…

Fourier domain structured low-rank matrix priors are emerging as powerful alternatives to traditional image recovery methods such as total variation and wavelet regularization. These priors specify that a convolutional structured matrix,…

Consider the incidence of a time-harmonic electromagnetic plane wave onto a biperiodic dielectric grating, where the surface is assumed to be a small and smooth perturbation of a plane. The diffraction is modeled as a transmission problem…

We present a new adaptive method for electronic structure calculations based on novel fast algorithms for reduction of multivariate mixtures. In our calculations, spatial orbitals are maintained as Gaussian mixtures whose terms are selected…

Knowledge gained through X-ray crystallography fostered structural determination of materials and greatly facilitated the development of modern science and technology in the past century. Atomic details of sample structures is achievable by…

The aim of this paper is to solve an important inverse source problem which arises from the well-known inverse scattering problem. We propose to truncate the Fourier series of the solution to the governing equation with respect to a special…

Accurate charge densities are central to electronic-structure theory, but computing charge-state-dependent densities with density functional theory remains too expensive for large-scale screening and defect workflows. We present ChargeFlow,…

We investigate phaseless inverse scattering problem for the Schr\"odinger equation and develop reconstruction methods based on the inverse Born series (IBS). We consider three types of phaseless data: the far-field total field, the total…

A computationally-fast inverse design method for nanophotonic structures is presented. The method is based on two complementary convex optimization problems which modify the dielectric structure and resonant field respectively. The design…

Image reconstruction under multiple light scattering is crucial in a number of applications such as diffraction tomography. The reconstruction problem is often formulated as a nonconvex optimization, where a nonlinear measurement model is…

Image reconstruction in very-long baseline interferometry operates under severely sparse aperture coverage with calibration challenges from both the participating instruments and propagation medium, which introduce the risk of biases and…

Anisotropic two-dimensional diffraction signals encode additional structural information, including atom-pair angular distributions, beyond conventional isotropic scattering. However, experimental constraints such as beam stops result in…

Recovering high-resolution structural and compositional information from coherent X-ray measurements involves solving coupled, nonlinear, and ill-posed inverse problems. Ptychography reconstructs a complex transmission function from…

We demonstrate high-resolution non-iterative holographic coherent diffraction imaging with hard X-rays using a novel phase-shifting reference, fabricated by atomic layer deposition to produce nanosharp 3D structure. The method surpasses the…

In this study we investigate the fast image filtering algorithm based on Intro sort algorithm and fast noise reduction of infrared images. Main feature of the proposed approach is that no prior knowledge of noise required. It is developed…