Related papers: RASCBEC: RAman Spectroscopy Calculation via Born E…
It is a widely held view that analytical integration is more accurate than the numerical one. In some special cases, however, numerical integration can be more advantageous than analytical integration. In our paper we show this benefit for…
Abstract reasoning refers to the ability to analyze information, discover rules at an intangible level, and solve problems in innovative ways. Raven's Progressive Matrices (RPM) test is typically used to examine the capability of abstract…
In this paper, we propose a computational framework for the optimal design of broadband absorbing materials composed of plasmonic nanoparticle arrays. This design problem poses several key challenges: (1) the complex multi-particle…
Bayesian inference promises to ground and improve the performance of deep neural networks. It promises to be robust to overfitting, to simplify the training procedure and the space of hyperparameters, and to provide a calibrated measure of…
Numerical heating in particle-in-cell (PIC) codes currently precludes the accurate simulation of cold, relativistic plasma over long periods, severely limiting their applications in astrophysical environments. We present a spatially…
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…
A relativistic version of the effective charge model for computation of observable characteristics of multi-electron atoms and ions is developed. A complete and orthogonal Dirac hydrogen basis set, depending on one parameter -- effective…
Recent trends of ab initio studies and progress in methodologies for electronic structure calculations of strongly correlated electron systems are discussed. The interest for developing efficient methods is motivated by recent discoveries…
Cell imaging and analysis are fundamental to biomedical research because cells are the basic functional units of life. Among different cell-related analysis, cell counting and detection are widely used. In this paper, we focus on one common…
Approximate Bayesian computation (ABC) is a likelihood-free inference method that has been employed in various applications. However, ABC can be sensitive to outliers if a data discrepancy measure is chosen inappropriately. In this paper,…
We propose and theoretically analyze a new vibrational spectroscopy, termed electron- and light-induced stimulated Raman (ELISR) scattering, that combines the high spatial resolution of electron microscopy with the molecular sensitivity of…
Accurate and efficient calculations of absorption spectra of molecules and materials are essential for the understanding and rational design of broad classes of systems. Solving the Bethe-Salpeter equation (BSE) for electron-hole pairs…
We present an apparatus to overcome the limitations of mechanical raster-scanning in electromagnetic induction imaging (EMI) techniques by instead performing a 2D optical raster-scan within the vapour cell of a radio-frequency atomic…
The bosonisation technique is used to calculate the resonant Raman spectrum of a quantum wire with two electronic sub-bands occupied. Close to resonance, the cross section at frequencies in the region of the inter sub-band transitions shows…
We present an energy-specific Bethe-Salpeter equation (BSE) implementation for efficient core and valence optical spectrum calculations. In energy-specific BSE, high-lying excitation energies are obtained by constructing trial vectors and…
State-constrained signal codes directly encode modulation signals using signal processing filters, the coefficients of which are constrained over the rings of formal power series. Although the performance of signal codes is defined by these…
We implement high-efficiency coherent excitation to a Rydberg state using stimulated Raman adiabatic passage in a cold atom electron and ion source. We achieve an efficiency of 60% averaged over the laser excitation volume with a peak…
In this study, an image-assisted Approximate Bayesian Computation (ABC) parameter inverse method is proposed to identify the design parameters. In the proposed method, the images are mapped to a low-dimensional latent space by Variational…
The paper introduces ensembles of accumulate-repeat-accumulate (ARA) codes which asymptotically achieve capacity on the binary erasure channel (BEC) with {\em bounded complexity} per information bit. It also introduces symmetry properties…
Despite rapid progress in the development of quantum algorithms in quantum computing as well as numerical simulation methods in classical computing for atomic and molecular applications, no systematic and comprehensive electronic structure…