相关论文: Molecular Fingerprints of Ice Surfaces in Sum Freq…
Arctic sea ice performs a vital role in global climate and has paramount impacts on both polar ecosystems and coastal communities. In the last few years, multiple deep learning based pan-Arctic sea ice concentration (SIC) forecasting…
One way to recognise an object is to study how the echo has been shaped during the interaction with the target. Wideband sonar allows the study of the energy distribution for a large range of frequencies. The frequency distribution contains…
Remote sensing hyperspectral and more generally spectral instruments are common tools to decipher surface features in Earth and Planetary science. While linear mixture is the most common approximation for compounds detection (mineral,…
Dust emission in the far-infrared (FIR) characterizes the temperature and quantity of interstellar dust in a spiral disk. The three Spitzer/MIPS bands are well suited to measuring the gradient in temperature and the total optical depth in…
Ice-templating is a well-established processing route for porous ceramics. Because of the structure/properties relationships, it is essential to better understand and control the solidification microstructures. Ice-templating is based on…
Glacial ice is used as a target material for the detection of ultra-high energy neutrinos, by measuring the radio signals that are emitted when those neutrinos interact in the ice. Thanks to the large attenuation length at radio…
Protons at the water/vapor interface are relevant for atmospheric and environmental processes, yet to characterize their surface affinity on the quantitative level is still challenging. Here we utilize phase-sensitive sum-frequency…
We propose a deep learning algorithm for seismic interface and pocket detection with neural networks trained by synthetic high-frequency displacement data efficiently generated by the frozen Gaussian approximation (FGA). In seismic imaging…
Surface waves on liquids act as a dynamical phase grating for incident light. In this article, we revisit the classical method of probing such waves (wavelengths of the order of mm) as well as inherent properties of liquids and liquid films…
We present high resolution two-photon excitation microscopy studies combining two-photon fluorescence (TPF) and second harmonic generation (SHG) in order to probe orientational distributions of molecular ensembles at room temperature. A…
Aerosol particles play an important role in the climate system by absorbing and scattering radiation and influencing cloud properties. They are also one of the biggest sources of uncertainty for climate modeling. Many climate models do not…
Vibrational spectroscopy is key for probing the interplay between the structure and dynamics of aqueous systems. In order to map different regions of experimental spectra to the microscopic structure of a system, it is important to combine…
Segregation of impurities to grain boundaries plays an important role in both the stability and macroscopic behavior of polycrystalline materials. The research objective in this work is to better characterize the energetics and length…
Context. Infrared spectroscopy of star and planet forming regions is at the dawn of a new age with the upcoming James Webb Space Telescope. In support of these observations, laboratory spectra are required to identify complex organic…
In drug-discovery-related tasks such as virtual screening, machine learning is emerging as a promising way to predict molecular properties. Conventionally, molecular fingerprints (numerical representations of molecules) are calculated…
In this paper, we analyze spatial sampling of electro- (EEG) magnetoencephalography (MEG), where the electric or magnetic field is typically sampled on a curved surface such as the scalp. Using simulated measurements, we study the…
The spectral response and directional scattering of semiconductor-oxide core-shell spherical microparticles embedded in an insulating medium at low volume fraction are computed using Mie Theory and Multiscale Modelling methods. The surface…
We present GridFF, an efficient method for simulating molecules on rigid substrates, derived from techniques used in protein-ligand docking in biochemistry. By projecting molecule-substrate interactions onto precomputed spatial grids with…
Sintering, as a thermal process at elevated temperature below the melting point, is widely used to bond contacting particles into engineering products such as ceramics, metals, polymers, and cemented carbides. Modelling and simulation as…
We simulate the liquid silicon surface with first-principles molecular dynamics in a slab geometry. We find that the atom-density profile presents a pronounced layering, similar to those observed in low-temperature liquid metals like Ga and…