Related papers: Portal for High-Precision Atomic Data and Computat…
In this paper I propose a new model for representing the formation energies of multicomponent crystalline alloys as a function of atom types. In the cases when displacements of atoms from their equilibrium positions are not large, the…
The great tunability of the properties of halide perovskites presents new opportunities for optoelectronic applications as well as significant challenges associated with exploring combinatorial chemical spaces. In this work, we develop a…
Optical atomic clocks are the most accurate measurement devices ever constructed and have found many applications in fundamental science and technology. The use of highly charged ions (HCI) as a new class of references for highest accuracy…
The simulation of ion-atom collisions remains a formidable challenge due to the complex interplay between electronic and nuclear degrees of freedom. We present a hybrid quantum-classical computing framework for simulating time-dependent…
The Opacity Project (OP) and Iron Project (IP) are pioneering international collaborations which have been computing, for more than 25 years, massive atomic data sets for astrophysical applications. We review the data activities that have…
A Projector Augmented Wave (PAW) atomic data file is needed to be generated for each element, and plays in the PAW method the role of the pseudopotential file for norm-conserving (NC) or ultra-soft (US) plane wave calculations. In this…
A relational database has been developed based on the original ($n,n'\gamma$) work carried out by A. M. Demidov $et$ $al$., at the Nuclear Research Institute in Baghdad, Iraq [$"Atlas$ $of$ $Gamma$-$Ray$ $Spectra$ $from$ $the$ $Inelastic$…
We review a number of highly charged ions which have optical transitions suitable for building extremely accurate atomic clocks. This includes ions from Hf$^{12+}$ to U$^{34+}$, which have the $4f^{12}$ configuration of valence electrons,…
Artificial Intelligence algorithms are introduced in this work as a tool to predict the performance of new chemical compounds as alternative propellants for electric propulsion, focusing on predicting their ionisation characteristics and…
We report here oscillator strengths, transition rates, branching ratios and lifetimes due to allowed transitions in potassium (K) atom. We evaluate electric dipole (E1) amplitudes using an all order relativistic many-body perturbation…
The design and performance of future fusion power plants will depend on accurate atomic data for plasma-facing material and plasma impurity species. A leading candidate for the plasma-facing material is tungsten due to its high melting…
We are preparing for an ultra-high resolution x-ray spectroscopy of kaonic atoms using an x-ray spectrometer based on an array of superconducting transition-edge-sensor microcalorimeters developed by NIST. The instrument has excellent…
A unitary model describing the electronic transitions in an atom subject to a strong high frequency laser pulse is proposed. The model fully accounts for the initial state coupling with the continuum spectrum. Continuum-continuum as well as…
The scattering of neutral particles by an atomic nucleus can lead to electronic ionisation and excitation through a process known as the Migdal effect. We revisit and improve upon previous calculations of the Migdal effect, using the…
Amorphous and amorphous porous palladium are key materials for catalysis, hydrogen storage, and functional applications, but their complex structures present computational challenges. This study employs a deep neural network trained on…
We have developed a broadly-applicable approach that drastically increases the ability to accurately predict properties of complex atoms. We applied it to the case of Ir$^{17+}$, which is of particular interest for the development of novel…
We discuss the diagnostic potential of high cadence ultraviolet spectral data when transient ionization is considered. For this we use high cadence UV spectra taken during the impulsive phase of a solar flares (observed with instruments…
Neutral-atom arrays are a leading platform for quantum technologies, offering a promising route toward large-scale, fault-tolerant quantum computing. We propose a novel quantum processing architecture based on dual-type, dual-element atom…
Volumetric crystal structure indexing and orientation mapping are key data processing steps for virtually any quantitative study of spatial correlations between the local chemistry and the microstructure of a material. For electron and…
In nuclear engineering studies, uncertainty and sensitivity analyses of simulation computer codes can be faced to the complexity of the input and/or the output variables. If these variables represent a transient or a spatial phenomenon, the…