Related papers: Grand-Canonical Quantized Liquid Density-Functiona…
In a recent paper [J. Chem. Phys. 127, 154701 (2007)], a multiscale approach was introduced which allowed the calculation of adsorption/desorption hysteresis for fluid confined in a single
This Dissertation presents results of a thorough study of ultracold bosonic and fermionic gases in three-dimensional and quasi-one-dimensional systems. Although the analyses are carried out within various theoretical frameworks…
We study the thermodynamic and transport properties of hot and dense quantum chromodynamic matter expected to be produced in low-energy heavy-ion collisions, using three different effective quantum chromodynamic frameworks: the…
The scaled particle theory is applied to a description of thermodynamic properties of one-dimensional hard rod fluid in disordered porous media. To this end, we extended the SPT2 approach, which had been developed previously. Analytical…
First-principles density functional theory (DFT) is employed to investigate the interactions of CO2 gas molecules with pristine and lithium-functionalized germanene. It is discovered that although a single CO2 molecule is weakly physisorbed…
Multiscale plasmonic systems e.g. extended metallic nanostructures with sub-nanometer inter-distances) play a key role in the development of next-generation nano-photonic devices. An accurate modeling of the optical interactions in these…
We show that information about scattering data of a quantum field theory can be obtained from studying the system at finite density and low temperatures. In particular we consider models formulated on the lattice which can be exactly…
Quantum-electrodynamical density-functional theory (QEDFT) provides a first-principles framework for describing materials coupled to quantized electromagnetic fields. While QEDFT has successfully captured cavity-induced modifications of…
A general reformulation of classical sharp-edge diffraction theory is proposed within paraxial approximation. The, not so much known, Poincar\'e vector potential construction is employed directly inside Fresnel's 2D integral in order for it…
We propose a new method for simulating QCD at finite density. The method is based on a general factorization property of distribution functions of observables, and it is therefore applicable to any system with a complex action. The…
The constrained-search principle introduced by Levy and Lieb, is proposed as a practical, though conceptually rigorous, link between Density Functional Theory (DFT) and Quantum Monte Carlo (QMC). The resulting numerical protocol realizes in…
In recent years the ultrahigh dimensional linear regression problem has attracted enormous attentions from the research community. Under the sparsity assumption most of the published work is devoted to the selection and estimation of the…
In this work, the local pressure of fluids confined inside nanoslit pores is predicted within the framework of the density functional theory. The Euler-Lagrange equation in the density functional theory of statistical mechanics is used to…
This manuscript provides a general approach to the investigation of field quantization in high-curvature geometries. The models and calculations can help with understanding the elastic and inelastic scattering of photons and electrons in…
Quantum gas microscopes, which image the atomic occupations in an optical lattice, have opened a new avenue to the exploration of many-body lattice systems. Imaging trapped systems after freezing the density distribution by ramping up a…
This paper presents a hybrid classical-quantum program for density estimation and supervised classification. The program is implemented as a quantum circuit in a high-dimensional quantum computer simulator. We show that the proposed quantum…
With the advent of new synthesis and large-scale production technologies, nanostructured gas-adsorbent materials (GAM) like carbon nanocomposites and metal-organic frameworks are becoming increasingly more influential in our everyday lives.…
A generalization of the Van der Waals excluded volume procedure for the multicomponent hadron gas is proposed. The derivation is based on the grand canonical partition function for the system of particles of several species interacting by…
We report quantum Monte Carlo (QMC), plane-wave density-functional theory (DFT), and interatomic pair-potential calculations of the zero-temperature equation of state (EOS) of solid neon. We find that the DFT EOS depends strongly on the…
The onset of condensation of hard spheres in a gravitational field is studied using density functional theory. In particular, we find that the local density approximation yields results identical to those obtained previously using the…