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In porous material research, one main interest of nuclear magnetic resonance (NMR) diffusion experiments is the determination of the exact shape of pores. It has been a longstanding ques-tion if this is achievable in principle. In this…
We present the development of a new algorithm which combines state-of-the-art energy-dispersive X-ray (EDX) spectroscopy theory and a suitable machine learning formulation for the hyperspectral unmixing of scanning transmission electron…
Low-rank tensor models have been applied in accelerating dynamic magnetic resonance imaging (dMRI). Recently, a new tensor nuclear norm based on t-SVD has been proposed and applied to tensor completion. Inspired by the different properties…
Molecular dynamics (MD) simulations are used to investigate $^1$H nuclear magnetic resonance (NMR) relaxation and diffusion of bulk $n$-C$_5$H$_{12}$ to $n$-C$_{17}$H$_{36}$ hydrocarbons and bulk water. The MD simulations of the $^1$H NMR…
Characterization of the molecular properties of surfaces under ambient or chemically reactive conditions is a fundamental scientific challenge. Moreover, many traditional analytical techniques used for probing surfaces often lack dynamic or…
Nuclear Magnetic Resonance (NMR) is a tool of choice to characterize molecular motions. In biological macromolecules, pico- to nano-second motions, in particular, can be probed by nuclear spin relaxation rates which depend on the time…
Computational modeling of charged species transport has enabled the analysis, design, and optimization of a diverse array of electrochemical and electrokinetic devices. These systems are represented by the Poisson-Nernst-Planck (PNP)…
Nuclear magnetic resonance (NMR) diffusion measurements are widely used to derive parameters indirectly related to the microstructure of biological tissues and porous media. However, a direct imaging of cell or pore shapes and sizes would…
In situ NMR spectroscopy is a powerful technique to investigate charge storage mechanisms in carbon-based supercapacitors thanks to its ability to distinguish ionic and molecular species adsorbed in the porous electrodes from those in the…
Nuclear magnetic resonance (NMR) spectroscopy provides detailed information pertaining to dynamic processes through line-shape changes, which have been traditionally limited to equilibrium conditions. However, there is a wealth of…
Deep neural networks (DNNs) continue to make significant advances, solving tasks from image classification to translation or reinforcement learning. One aspect of the field receiving considerable attention is efficiently executing deep…
In recent years, non-intrusive load monitoring (NILM) technology has attracted much attention in the related research field by virtue of its unique advantage of utilizing single meter data to achieve accurate decomposition of device-level…
Objective: Evaluate and compare multiple mechanics-based and traditional regularization strategies within a variational image registration framework for quasi-static ultrasound elastography. Methods:We reformulate a previously proposed…
In recent years, the performance of different entanglement indicators obtained directly from tomograms has been assessed in continuous-variable and hybrid quantum systems. In this paper, we carry out this task in the case of spin systems.…
We show that the particular distribution of mass deposited on the surface of a nanomechanical resonator can be estimated by tracking the evolution of the device's resonance frequencies during the process of desorption. The technique, which…
Quantitative electron magnetic circular dichroism (EMCD) in transmission electron microscopy (TEM) enables the measurement of magnetic moments with elemental and atomic site sensitivity, but its practical application is fundamentally…
The diffusion of enzymes is of fundamental importance for many biochemical processes. Enhanced or directed enzyme diffusion can alter the accessibility of substrates and the organization of enzymes within cells. Several studies based on…
Nuclear magnetic resonance (NMR) spectroscopy serves as an important tool to analyze chemicals and proteins in bioengineering. However, NMR signals are easily contaminated by noise during the data acquisition, which can affect subsequent…
In-situ NMR spin-lattice relaxation measurements were performed on several vapor deposited ices. The measurements, which span more than 6 orders of magnitude in relaxation times, show a complex spin-lattice relaxation pattern that is…
Phosphorylation is a prototypical example of post-translational modifications (PTMs) that dynamically modulate protein func-tion, where dysregulation is often implicated in disease. NMR provides information on the exact location and time…