Related papers: Improved calculations of mean ionization states wi…
In plasmas, electronic states can be well localized bound states or itinerant free states, or something in between. In self-consistent treatments of plasma electronic structure such as the average atom model, all states must be accurately…
Muon ionization cooling involves passing particles through solid or liquid absorbers. Careful simulations are required to design muon cooling channels. New features have been developed for inclusion in the transfer map code COSY Infinity to…
This work is devoted to the \textit{ab initio} calculation of transport and optical properties of aluminum. The calculation is based on the quantum molecular dynamics simulation, density functional theory and the Kubo-Greenwood formula.…
A key step in interpreting gas-phase ion mobility coupled with mass spectrometry (IM-MS) data for unknown structure prediction involves identifying the most favorable protonated structure. In the gas phase, the site of protonation is…
The method to calculate the grand partition function of a particle system, in which constituents interact with each other via potential, that include repulsive and attractive components, is proposed. The cell model, which was introduced to…
The aim of this paper is to analyze from a mathematical perspective some existing schemes to partition a molecular density into several atomic contributions, with a specific focus on Iterative Stockholder Atom (ISA) methods. We provide a…
Atomic partial charges appear in the Coulomb term of many force-field models and can be derived from electronic structure calculations with a myriad of atoms-in-molecules (AIM) methods. More advanced models have also been proposed, using…
Rapid access to accurate equation-of-state (EOS) data is crucial in the warm-dense matter regime, as it is employed in various applications, such as providing input for hydrodynamic codes to model inertial confinement fusion processes. In…
The estimation of the density matrix of a $k$-level quantum system is studied when the parametrization is given by the real and imaginary part of the entries and they are estimated by independent measurements. It is established that the…
For model-based estimation methods, the modeling that is as close to reality as possible makes a vital estimation result. In simple applications, it is sufficient to model a system with a single state space model. However, there are…
We study a microscopic mean-field model for the dynamics of the electron glass, near a local equilibrium state. Phonon-induced tunneling processes are responsible for generating transitions between localized electronic sites, which…
This work addresses the problem of state estimation in multivariable dynamic systems with quantized outputs, a common scenario in applications involving low-resolution sensors or communication constraints. A novel method is proposed to…
We propose a simple approach for studying systems of compressed matter based on the Thomas-Fermi statistical model of single atom. The central point of our work is the development of the concept of ``statistical ionization'' by compression;…
The hydrogen plasma is studied at temperatures T ~ 10^4 - 10^6 K using the free energy minimization method. A simple analytic free energy model is proposed which is accurate at densities up to 1 g/cc and yields convergent internal partition…
We present global predictions of the ground state mass of atomic nuclei based on a novel Machine Learning (ML) algorithm. We combine precision nuclear experimental measurements together with theoretical predictions of unmeasured nuclei.…
The international Muon Ionization Cooling Experiment (MICE) aims to demonstrate muon beam ionization cooling for the first time and constitutes a key part of the R&D towards a future neutrino factory or muon collider. Beam cooling reduces…
Ionization is a problematic quantity in that it does not have a well-defined thermodynamic definition, yet it is a key parameter within plasma modelling. One still therefore aims to find a consistent and unambiguous definition for the…
We implement a full nonlinear optimization method to fit continuum states with complex Gaussians. The application to a set of regular scattering Coulomb functions allows us to validate the numerical feasibility, to explore the range of…
In the last few years several ``universal'' interatomic potentials have appeared, using machine-learning approaches to predict energy and forces of atomic configurations with arbitrary composition and structure, with an accuracy often…
The new statistical approach for calculation of radiation processes with heavy multielectron ions in plasma is developed. The method consists in consideration of atomic structure as a condensed medium, characterized by the spectrum of…