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Synthetic molecular dynamics (synMD) trajectories from learned generative models have been proposed as a useful addition to the biomolecular simulation toolbox. The computational expense of explicitly integrating the equations of motion in…
The development of porous polymeric membranes remains a labor-intensive process, often requiring extensive trial and error to identify optimal fabrication parameters. In this study, we present a fully automated platform for membrane…
Molecular carriers represent an increasingly common strategy in the field of nanopore sensing to use secondary molecules to selectively report on the presence of target analytes in solution, allowing for sensitive assays of otherwise…
While nuclear magnetic resonance (NMR) provides valuable insights into the local environment of many nuclei, the unambiguous interpretation of the signal in terms of microscopic dynamics is often difficult, particularly when the quadrupolar…
We report on systematic numerical study of carrier multiplication (CM) processes in spherically symmetric nanocrystal (NC) and bulk forms of PbSe and PbS representing the test bed for understanding basic aspects of CM dynamics. The adopted…
Direct measurements of photoexcited carrier dynamics in nickel are made using few-femtosecond extreme ultraviolet (XUV) transient absorption spectroscopy at the nickel M$_{2,3}$ edge. It is observed that the core-level absorption lineshape…
In this paper, we present the design and the analysis of an electrochemical circuit for measuring the concentrations of therapeutic drugs using structure-switching aptamers. Aptamers are single-stranded nucleic acids, whose sequence is…
Nonnegative matrix factorization (NMF) methods have proved to be powerful across a wide range of real-world clustering applications. Integrating multiple types of measurements for the same objects/subjects allows us to gain a deeper…
Recently there has been an increased interest to apply the sensitive $\beta$-decay asymmetry detected nuclear magnetic resonance ($\beta$-NMR) technique to biological studies. A liquid-sample $\beta$-NMR setup was build at ISOLDE to allow…
The identification of continuous-time (CT) systems from discrete-time (DT) input and output signals, i.e., the sampled data, has received considerable attention for half a century. The state-of-the-art methods are parametric methods and…
Model compression has gained a lot of attention due to its ability to reduce hardware resource requirements significantly while maintaining accuracy of DNNs. Model compression is especially useful for memory-intensive recurrent neural…
In magnetically-confined plasmas of tokamaks, neutral deuterium/hydrogen (D/H) atoms play a role in energy, momentum, and particle balance, as well as the stabilization of plasma turbulence. One key important fusion performance parameter is…
Being capable of characterizing DNA local bending is essential to understand thoroughly many biological processes because they involve a local bending of the double helix axis, either intrinsic to the sequence or induced by the binding of…
Nuclear Magnetic Resonance (NMR) spectroscopy is a central characterization method for molecular structure elucidation, yet interpreting NMR spectra to deduce molecular structures remains challenging due to the complexity of spectral data…
Purpose: Inhomogeneous magnetization transfer (ihMT) effect reflects dipolar order with a dipolar relaxation time ($T_{1D}$), specific to motion-restricted macromolecules. We aim to quantify $T_{1D}$ using spin-lock MRI technique. Methods:…
Advanced tensor decomposition, such as Tensor train (TT) and Tensor ring (TR), has been widely studied for deep neural network (DNN) model compression, especially for recurrent neural networks (RNNs). However, compressing convolutional…
The Density Matrix Renormalization Group (DMRG) method has become a prominent tool for simulating strongly correlated electronic systems characterized by dominant static correlation effects. However, capturing the full scope of electronic…
Fluorescent nanodiamonds (FNDs) relaxometry holds promising future for advancement of high spatiotemporal resolution metabolic imaging technology. In this study, we demonstrate a simultaneous integration of spatial position tracking with…
Single-cell analysis can unravel functional heterogeneity within cell populations otherwise obscured by ensemble measurements. However, non-invasive techniques that probe chemical entities and their dynamics are still lacking. This…
Differential dynamic microscopy (DDM) typically relies on movies containing hundreds or thousands of frames to accurately quantify motion in soft matter systems. Using movies much shorter in duration produces noisier and less accurate…