相关论文: Molecular Fingerprints of Ice Surfaces in Sum Freq…
Sum frequency generation vibrational spectra of the water molecules at the NaF and KF aqueous solution surfaces showed significantly different spectral features and different concentration dependence. This result is the first direct…
Mobile ground robots require perceiving and understanding their surrounding support surface to move around autonomously and safely. The support surface is commonly estimated based on exteroceptive depth measurements, e.g., from LiDARs.…
Modeling the mechanics of fluid in complex scenes is vital to applications in design, graphics, and robotics. Learning-based methods provide fast and differentiable fluid simulators, however most prior work is unable to accurately model how…
Sulfur is the tenth most abundant element in the universe and is known to play a significant role in biological systems. Accordingly, in recent years there has been increased interest in the role of sulfur in astrochemical reactions and…
Therapeutic peptides show promise in targeting previously undruggable binding sites, with recent advancements in deep generative models enabling full-atom peptide co-design for specific protein receptors. However, the critical role of…
Predicting how organic molecules adsorb, assemble, and interact on metal surfaces is central to surface chemistry and molecular electronics, particularly in the context of interpreting high-resolution scanning probe microscopy. Yet, the…
We show that studying of low-frequency internal friction (LFIF) of solid samples at low temperatures allows determining the presence of various gases absorbed, for some reasons, in pores and caverns of the solids. The gases come over to a…
We present SM-Net, a machine-learning model that learns a continuous spectral manifold from multiple high-resolution stellar libraries. SM-Net generates stellar spectra directly from the fundamental stellar parameters effective temperature…
In inertial confinement fusion (ICF), Thomson scattering (TS) is a widely used diagnostic technique for probing plasma conditions. We present a first-principles numerical approach to obtaining scattered light signals of ion acoustic…
This paper presents an overview of recent computer simulations of grain boundary (GB) diffusion focusing on atomistic understanding of diffusion mechanisms. At low temperatures when GB structure is ordered, diffusion is mediated by point…
Atomistic modeling of thin-film processes provides an avenue not only for discovering key chemical mechanisms of the processes but also to extract quantitative metrics on the events and reactions taking place at the gas-surface interface.…
Many questions concerning the biophysical and physiological properties of skin are still open. Skin aging, permeability, dermal absorption, hydration and drug transdermal delivery, are few examples of processes with its underlying…
Understanding the influence of phonon-mediated processes on grazing-incidence fast atom diffraction (GIFAD) patterns is relevant for its use as a surface analysis technique. In this work, we apply the Phonon-Surface Initial Value…
The Spectral Airglow Temperature Imager is an instrument, specially designed for investigation of the wave processes in the Mesosphere-Lower Thermosphere. In order to determine the kinematic parameters of a wave, the values of a physical…
Atomic force microscopy (AFM or SPM) imaging is one of the best matches with machine learning (ML) analysis among microscopy techniques. The digital format of AFM images allows for direct utilization in ML algorithms without the need for…
This paper presents a new method, based on the well-known method of moments (MoM), for the numerical electromagnetic analysis of scattering and radiation from metallic or dielectric structures, or both structure types in the same…
Atomic Force Microscopy - Infrared (AFM-IR) spectroscopy allows spectroscopic studies in the mid-infrared spectral region with a spatial resolution better than 50 nm. We show that the high spatial resolution can be used to perform…
A hallmark of meso-scale interfacial fluids is the multi-faceted, scale-dependent interfacial energy, which often manifests different characteristics across the molecular and continuum scale. The multi-scale nature imposes a challenge to…
Sustainable aviation fuels have the potential for reducing emissions and environmental impact. To help identify viable sustainable aviation fuels and accelerate research, several machine learning models have been developed to predict…
In this work, we present Stellar Spectra Factory (SSF), a tool to generate empirical-based stellar spectra from arbitrary stellar atmospheric parameters. The relative flux-calibrated empirical spectra can be predicted by SSF given arbitrary…