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Bootstrap embedding (BE) is a recently developed electronic structure method that has shown great success at treating electron correlation in molecules. Here, we extend BE to treat surfaces and solids where the wave function is represented…
In this article, we present a graph-based method using a cubic template for volumetric segmentation of vertebrae in magnetic resonance imaging (MRI) acquisitions. The user can define the degree of deviation from a regular cube via a…
Core-satellite structures are known to exhibit magnetic modes at optical frequencies and their characterization is important for the development of metamaterials and metafluids. We develop a finite-difference time-domain electrodynamics…
We demonstrate insights into the three-dimensional structure of defects in graphene, in particular grain boundaries, obtained via a new approach from two transmission electron microscopy images recorded at different angles. The structure is…
Impact collision ion scattering spectroscopy (ICISS), which is a variation of low energy ion scattering (LEIS) that employs large scattering angles, is performed on Bi2Se3 surfaces prepared by ion bombardment and annealing (IBA). ICISS…
We propose a novel Graph Neural Network-based method for segmentation based on data fusion of multimodal Scanning Electron Microscope (SEM) images. In most cases, Backscattered Electron (BSE) images obtained using SEM do not contain…
The properties of a semiconductor get drastically modified when the crystal point group symmetry is broken under an arbitrary strain. We investigate the family of semiconductors consisting of GaAs, GaSb, InAs and InSb, considering their…
Investigating topological effects in materials requires often the modeling of material systems as a whole. Such modeling restricts system sizes, and makes it hard to extract systematic trends. Here, we investigate the effect of M\"obius…
Amphiphilic molecules spontaneously form self-assembled structures of various shapes depending on their molecular structures, the temperature, and other physical conditions. The functionalities of these structures are dictated by their…
We present clustering methods for multivariate data exploiting the underlying geometry of the graphical structure between variables. As opposed to standard approaches that assume known graph structures, we first estimate the edge structure…
We demonstrate the growth of graphene nanocrystals by molecular beam methods that employ a solid carbon source, and that can be used on a diverse class of large area dielectric substrates. Characterization by Raman and Near Edge X-ray…
We study the electrodynamic impedance of percolating conductors with a pre-defined network topology using a scanning microwave impedance microscope (sMIM) at GHz frequencies. For a given percolation number we observe strong spatial…
In this report, correlation of the pixels comprising a microarray spot is investigated. Subsequently, correlation statistics namely: Pearson correlation and Spearman rank correlation are used to segment the foreground and background…
Nanogranular material systems are promising for a variety of applications in research and development. Their physical properties are often determined by grain sizes, shapes, mutual distances and by the chemistry of the embedding matrix With…
In a wide variety of fields, analysis of images involves defining a region and measuring its inherent properties. Such measurements include a region's surface area, curvature, volume, average gray and/or color scale, and so on. Furthermore,…
The interfacial nature of the electric double layer (EDL) assumes that electrode surface morphology significantly impacts the EDL properties. Since molecular-scale roughness modifies the structure of EDL, it is expected to disturb the…
We present a transductive learning approach for morphometric osteophyte grading based on geometric deep learning. We formulate the grading task as semi-supervised node classification problem on a graph embedded in shape space. To account…
We study the processes of the electron and hole injection (double injection) into the i-region of graphene-layer and multiple graphene-layer p-i-n structures at the forward bias voltages. The hydrodynamic equations governing the electron…
The electrocardiogram (ECG) is a well-known technique used to diagnose cardiac diseases. To acquire the spatial signal characteristics from the thorax, multiple electrodes are commonly used. Displacements of electrodes affect the signal…
We present a graph theory-based method to characterise flow defects and structural shifts in condensed matter. We explore the connection between dynamical properties, particularly the recently introduced concept of ''softness'', and…