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Resonant X-ray scattering (RXS) is a spectroscopy where both the power of site selective diffraction and the power of local absorption spectroscopy regarding atomic species are combined. By virtue of the dependence on the core level state…
Differential-algebraic equations (DAEs) are widely used for modeling of dynamical systems. In numerical analysis of DAEs, consistent initialization and index reduction are important preprocessing prior to numerical integration. Existing DAE…
Ultrafast scattering using X-rays or electrons is an emerging method to obtain structure dynamics at the atomic length and time scales. However, directly resolving in real-space atomic motions is inherently limited by the finite detector…
Characterising optical quantum states is essential for the development of quantum technologies. While traditional approaches to perform full quantum state tomography are often experimentally demanding, neuromorphic architectures may provide…
Observations of exoplanet transit spectra are essential to understanding the physics and chemistry of distant worlds. The effects of opacity sources and many physical processes combine to set the shape of a transit spectrum. Two such key…
Numerous natural and technological phenomena are governed by resonances. In nanophotonics, resonances often result from the interaction of several optical elements. Controlling these resonances is an excellent opportunity to provide light…
The lack of a mechanistic framework for chemical reactions forming inorganic extended solids presents a challenge to accelerated materials discovery. We demonstrate here a combined computational and experimental methodology to tackle this…
We present a comprehensive study of the emission spectra from accreting sources. We use our new reflection code to compute the reflected spectra from an accretion disk illuminated by X-rays. This set of models covers different values of…
A novel method and experimental configuration are proposed that allow the collection of high-quality X-ray absorption spectroscopy (XAS) data in transmission mode on a standard laboratory diffractometer. This configuration makes use of…
The number of artificial intelligence algorithms for learning causal models from data is growing rapidly. Most ``causal discovery'' or ``causal structure learning'' algorithms are primarily validated through simulation studies. However, no…
On an example of the open nonlinear electrodynamic system - transverse non-homogeneous, isotropic, nonlinear (a Kerr-like dielectric nonlinearity) dielectric layer, the algorithms of solution of the diffraction problem of a plane wave on…
In a recent article the most general non-uniform reaction-diffusion models on a one-dimensional lattice with boundaries were considered, for which the time evolution equations of correlation functions are closed and the stationary profile…
Pre-edge features in X-ray absorption spectroscopy contain key information about the lowest excited states and thus on the most interesting physical properties of the system. In transition metal oxides they are particularly structured but…
The high-precision solution of the radial Dirac equation is fundamental to relativistic quantum chemistry, essential for reliable pseudopotential generation and all-electron electronic structure methods. However, standard basis-set…
Diffuse optical tomography (DOT) is a severely ill-posed nonlinear inverse problem that seeks to estimate optical parameters from boundary measurements. In the Bayesian framework, the ill-posedness is diminished by incorporating {\em a…
A new code for evaluation of light absorption and scattering by interstellar dust grains is presented. The radiative transfer problem is solved using ray-tracing algorithm in a self-consistent and highly efficient way. The code demonstrates…
The Douglas-Rachford reflection method is a general purpose algorithm useful for solving the feasibility problem of finding a point in the intersection of finitely many sets. In this chapter we demonstrate that applied to a specific…
The physical characteristics and atmospheric chemical composition of newly discovered exoplanets are often inferred from their transit spectra which are obtained from complex numerical models of radiative transfer. Alternatively, simple…
An asymptotic restoration procedure is applied for analyzing bound--state overlap functions, separation energies and single--nucleon spectroscopic factors by means of a model one--body density matrix emerging from the Jastrow correlation…
Core-level spectra of 1s electrons of elements heavier than Ne show significant relativistic effects. We combine advances in orbital optimized DFT (OO-DFT) with the spin-free exact two-component (X2C) model for scalar relativistic effects,…