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Analysis of XRD diffraction patterns is one of the keystones of materials science and materials research. With the advancement of data-driven methods for materials design, candidate materials can be quickly screened for the study of a…
As a burgeoning technique, out-of-focus electron ptychography offers the potential for rapidly imaging atomic-scale large fields of view (FoV) using a single diffraction dataset. However, achieving robust out-of-focus ptychographic…
We present a MATLAB-based framework for two- and three-dimensional fast Fourier transforms on multiple GPUs for large-scale numerical simulations using the pseudo-spectral Fourier method. The software implements two complementary multi-GPU…
The problem of phase retrieval has been intriguing researchers for decades due to its appearance in a wide range of applications. The task of a phase retrieval algorithm is typically to recover a signal from linear phase-less measurements.…
The development of mathematical models of cancer informed by time-resolved measurements has enabled personalised predictions of tumour growth and treatment response. However, frequent cancer monitoring is rare, and many tumours are treated…
Docker images are composed of multiple layers, each of which contains a set of instructions, and an archive of files. Layers allow Docker to separate a large build task into smaller ones, such that when a part of the program is changed,…
Phase retrieval is a well known ill-posed inverse problem where one tries to recover images given only the magnitude values of their Fourier transform as input. In recent years, new algorithms based on deep learning have been proposed,…
Ultrafast experiments require precise temporal characterization of laser pulses, where pulse reconstruction is typically achieved through iterative retrieval algorithms. In this context, the amplitude swing technique has emerged as a robust…
This paper addresses fundamental scaling issues that hinder phase retrieval (PR) in high dimensions. We show that, if the measurement matrix can be put into a generalized block-diagonal form, a large PR problem can be solved on separate…
X-ray tomographic reconstruction typically uses voxel basis functions to represent volumetric images. Due to the structure in voxel basis representations, efficient ray-tracing methods exist allowing fast, GPU accelerated implementations.…
Ptychography, a special case of the phase retrieval problem, is a popular method in modern imaging. Its measurements are based on the shifts of a locally supported window function. In general, direct recovery of an object from such…
Context. Inferring spectral parameters from X-ray data is one of the cornerstones of high-energy astrophysics, and is achieved using software stacks that have been developed over the last twenty years and more. However, as models get more…
The fast algorithms in Fourier optics have invigorated multifunctional device design and advanced imaging technologies. However, the necessity for fast computations has led to limitations in the widely used conventional Fourier methods,…
Static code analysis tools are designed to aid software developers to build better quality software in less time, by detecting defects early in the software development life cycle. Even the most experienced developer regularly introduces…
Many areas of science and engineering encounter data defined on spherical manifolds. Modelling and analysis of spherical data often necessitates spherical harmonic transforms, at high degrees, and increasingly requires efficient computation…
Multislice electron ptychography (MEP) is an inverse imaging technique that computationally reconstructs the highest-resolution images of atomic crystal structures from diffraction patterns. Available algorithms often solve this inverse…
Electron tomography is a technique used in both materials science and structural biology to image features well below optical resolution limit. In this work, we present a new algorithm for reconstructing the three-dimensional(3D)…
The phase-field method has become a useful tool for the simulation of classical metallurgical phase transformations as well as other phenomena related to materials science. The thermodynamic consistency that forms the basis of these…
Compressive phase retrieval refers to the problem of recovering a structured $n$-dimensional complex-valued vector from its phase-less under-determined linear measurements. The non-linearity of measurements makes designing…
Covalent Organic Frameworks (COFs) have gained significant popularity in recent years due to their unique ability to provide a high surface area and customizable pore geometry and chemistry. These traits make COFs a highly promising choice…