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When studying the association between treatment and a clinical outcome, a parametric multivariable model of the conditional outcome expectation is often used to adjust for covariates. The treatment coefficient of the outcome model targets a…
We build a general quantum state tomography framework that makes use of machine learning techniques to reconstruct quantum states from a given set of coincidence measurements. For a wide range of pure and mixed input states we demonstrate…
Electronic density of states (DOS) plays a crucial role in determining and understanding materials properties. We investigate the machine learnability of additive atomic contributions to electronic DOS, focusing on atom-projected DOS rather…
We use the mean-field approximation to simplify the master equation for sympathetic cooling of Bosons. For the mean single-particle occupation numbers, this approach yields the same equations as the factorization assumption introduced in an…
Reconfigurable intelligent surface (RIS) has been recognized as a promising solution for enhancing localization accuracy. Traditional RIS-based localization methods typically rely on prior channel knowledge, beam scanning, and pilot-based…
Mean field-like approximations (including naive mean field, Bethe and Kikuchi and more general Cluster Variational Methods) are known to stabilize ordered phases at temperatures higher than the thermodynamical transition. For example, in…
Atomistic spin dynamics (ASD) is a standard tool to model the magnetization dynamics of a variety of materials. The fundamental dynamical model underlying ASD is entirely classical. In this paper, we present two approaches to effectively…
We use a two-fluid model combining the quantum Green's function technique for the electrons and a classical HNC description for the ions to calculate the high-density equation of state of hydrogen. This approach allows us to describe fully…
The predictive electrolyte model COSMO-RS-ES is refined to improve the description of systems at 25{\deg}C in which strong ion pairing is expected due to a low static permittivity of the liquid phase. Furthermore, the short-range ion energy…
We discuss the relation between the effective vector meson mass and equation of state (EOS) for nuclear matter. In the mean field approximation, the EOS becomes softer due to the reduction of the effective omega-meson mass, if we assume…
We introduce a versatile method to compute electronic steady state properties of strongly correlated extended quantum systems out of equilibrium. The approach is based on dynamical mean-field theory (DMFT), in which the original system is…
An adaptive, kink-based path integral formalism is used to calculate the ground state energies of the atoms He-Ne. The method uses an adaptive scheme to virtually eliminate the sign difficulties. This is done by using a Monte Carlo scheme…
Discovery of material properties at extremes, which are essential for high energy density physics development, requires the most advanced experimental facilities, theories, and computations. Nowadays it is possible to model properties of…
Using path integral Monte Carlo (PIMC) and density functional molecular dynamics (DFT-MD) simulation methods, we compute a coherent equation of state (EOS) of nitrogen that spans the liquid, warm dense matter (WDM), and plasma regimes.…
The aerosol mixing state significantly affects the climate and health impacts of atmospheric aerosol particles. Simplified aerosol mixing state assumptions, common in Earth System models, can introduce errors in the prediction of these…
Electron-impact ionization cross sections for the 1s2s 1S and 1s2s 3S metastable states of Li+ are calculated using both perturbative distorted-wave and non-perturbative close-coupling methods. Term-resolved distorted-wave calculations are…
Using two first-principles computer simulation techniques, path integral Monte-Carlo and density functional theory molecular dynamics, we derive the equation of state of magnesium in the regime of warm dense matter, with densities ranging…
We construct the equation of state (EOS) of dense matter covering a wide range of temperature, proton fraction, and density for the use of core-collapse supernova simulations. The study is based on the relativistic mean-field (RMF) theory,…
In the present paper, we propose a variational average-atom model of electron-ion plasma performing a quantum treatment of bound electrons and accounting for correlations (VAAQBEC). This model addresses the correlation functions in a…
The Mean Spherical Approximation (MSA) is a commonly-used thermodynamic theory for computing the energetics of ions in the primitive model (i.e., charged hard-sphere ions in a background dielectric). For the excess chemical potential,…