相关论文: An Empirical Approach to the Bond Additivity Model…
A spectral mixture (SM) kernel is a flexible kernel used to model any stationary covariance function. Although it is useful in modeling data, the learning of the SM kernel is generally difficult because optimizing a large number of…
Solid-water interfaces are crucial to many physical and chemical processes and are extensively studied using surface-specific sum-frequency generation (SFG) spectroscopy. To establish clear correlations between specific spectral signatures…
Inferring a binary connectivity graph from resting-state fMRI data for a single subject requires making several methodological choices and assumptions that can significantly affect the results. In this study, we investigate the robustness…
Probing signal injection is a well-established technique to extract additional information from a weakly (or non) observable dynamical system. Using averaging theory, a framework to analyse such schemes for general nonlinear systems has…
The paper examines the Fractional Fourier Transform (FRFT) based technique as a tool for obtaining the probability density function and its derivatives, and mainly for fitting stochastic model with the fundamental probabilistic…
Here we report a detailed study on spectroscopy, structure and dynamics of water molecules at air/water interface, investigated with Sum Frequency Generation Vibrational Spectroscopy (SFG-VS). Quantitative polarization and experimental…
Vibrational spectroscopy is a cornerstone technique for molecular characterization and offers an ideal target for the computational investigation of molecular materials. Building on previous comprehensive assessments of efficient methods…
Extensions and improvements of empirical force fields are discussed in view of applications to computational vibrational spectroscopy and reactive molecular dynamics simulations. Particular focus is on quantitative studies which make…
Accurately simulating molecular vibronic spectra remains computationally challenging due to the exponential scaling of required calculations. Here, we show that employing the linear coupling model within the gaussian boson sampling…
Raman spectroscopy is an important tool for studies of molecules, liquids and solids. While Raman spectra can be obtained theoretically from molecular dynamics (MD) simulations, this requires the calculation of the electronic polarizability…
We present a practical three-step procedure of using the Standard Model effective field theory (SM EFT) to connect ultraviolet (UV) models of new physics with weak scale precision observables. With this procedure, one can interpret…
Generalized additive models (GAMs) are flexible non-linear regression models, which can be fitted efficiently using the approximate Bayesian methods provided by the mgcv R package. While the GAM methods provided by mgcv are based on the…
Grid-forming (GFM) technology is widely regarded as a promising solution for future power systems dominated by power electronics. However, a universally accepted definition of GFM behavior and precise method for its quantification remain…
Hybrid Bond Graph (HBG) is a Bond Graph-based modelling approach which provides an effective tool not only for dynamic modeling but also for fault detection and isolation (FDI) of switching systems. Bond graph (BG) has been proven useful…
Vibrational motions in electronically excited states can be observed by either time and frequency resolved infrared absorption or by off resonant stimulated Raman techniques. Multipoint correlation function expressions are derived for both…
In this work, we introduce a Variational Multi-Scale (VMS) method for the numerical approximation of parabolic problems, where sub-grid scales are approximated from the eigenpairs of associated elliptic operator. The abstract method is…
Grid-forming (GFM) technology is widely regarded as a promising solution for future power systems dominated by power electronics. However, a precise method for quantifying GFM converter behavior and a universally accepted GFM definition…
We introduced a measurement procedure for the involuntary response of voice fundamental-frequency to frequency modulated auditory stimulation. This involuntary response plays an essential role in voice fundamental frequency control while…
Quantum embedding methods have become a powerful tool to overcome deficiencies of traditional quantum modelling in materials science. However, while these are systematically improvable in principle, in practice it is rarely possible to…
An analytical model to estimate nonlinear performance in ultra-wideband optical transmission networks is presented. The model accurately accounts for inter-channel stimulated Raman scattering, variably loaded fibre spans and is validated…