Related papers: A preparative mass spectrometer to deposit intact …
Molecular dynamics (MD) simulations are widely used to study biological systems, where water molecules often play a critical role in protein-ligand interactions. In conventional MD preparation protocols, water molecules are typically added…
A novel smooth immersed boundary method (IBM) based on a direct-forcing formulation is proposed to simulate incompressible dense particle-laden flows. This IBM relies on a regularization of the transfer function between the Eulerian grid…
Electrochemical impedance spectroscopy (EIS) is an effective method for studying the electrochemical systems. The interpretation of EIS is the biggest challenge in this technology, which requires reasonable modeling. However, the modeling…
The Electron Microscopy Data Bank (EMDB) is a rapidly growing repository for the dissemination of structural data from single-particle reconstructions of supramolecular protein assemblies including motors, chaperones, cytoskeletal…
Imaging mass spectrometry (IMS) is a powerful tool for untargeted, highly multiplexed molecular mapping of tissue in biomedical research. IMS offers a means of mapping the spatial distributions of molecular species in biological tissue with…
Realizing active metasurfaces with substantial tunability is important for many applications but remains challenging due to difficulties in dynamically tuning light-matter interactions at subwavelength scales. Here, we introduce reversible…
Electron beam probe (EBP) is a new principle detector, which makes use of a low-intensity and low-energy electron beam to measure the transverse profile, bunch shape, beam neutralization and beam wake field of an intense beam with small…
We present a molecular extension of our recently proposed Green's function embedding method, interacting-bath dynamical embedding theory (ibDET), for computing charged excitation energies at the $GW$ and EOM-CCSD levels. Starting from…
The complexity of ultrafast molecular photoionization presents an obstacle to the modelling of pump-probe experiments. Here, a simple optimized model of atomic rubidium is combined with a molecular dynamics model to predict quantitatively…
In this paper, large-scale intelligent reflecting sur-face (IRS)-assisted multiple-input single-output (MISO) system is considered in the presence of channel uncertainty. To maximize the average sum rate of the system by jointly optimizing…
We report on a successful test of a new method for intense ion beam formation using an extraction with inhomogeneous electric field. Its key feature is a special shape of the extraction electrodes providing a higher rate of ion…
Ion Mobility Spectrometry (IMS) is a well-known, sensitive and rapid technique to detect dangerous organic compounds. We propose a system in which a crown type discharge generates a ionic flow that is swept towards an array of collectors by…
A method is presented for the determination of complex-valued compression and shear elastic moduli of polymers for ultrasound applications. The resulting values, which are scarcely reported in the literature, are found with uncertainties…
We generalize the interpolative separable density fitting (ISDF) method, used for compressing the four-index electron repulsion integral (ERI) tensor, to incorporate adaptive real space grids for potentially highly localized single-particle…
Microstructural analysis with electron backscatter diffraction (EBSD) involves sectioning and polishing to create a flat and preparation-artifact free surface. The quality of EBSD analysis is often dependant on this step, and this motivates…
Recent advances in nanotechnology have created the need to manufacture three-dimensional nanostructures with controlled material composition. Focused Electron Beam Induced Deposition (FEBID) is a nanoprinting technique offering highest…
Multi-material decomposition (MMD) enables quantitative reconstruction of tissue compositions in the human body, supporting a wide range of clinical applications. However, traditional MMD typically requires spectral CT scanners and…
Workflows have been developed in the past decade to enable atom probe tomography analysis at cryogenic temperatures. The inability to control the local deposition of the metallic precursor from the gas-injection system (GIS) at cryogenic…
Mass spectrometry imaging (MSI) as an analytical tool for bio-molecular and bio-medical research targets, accurate compound localization and identification. In terms of dedicated instrumentation, this translates into the demand for more…
Ni-Mo superalloys have emerged as materials of choice for a diverse array of applications owing to their superior mechanical properties, exceptional corrosion and oxidation resistance, electrocatalytic behavior, and surface stability.…