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A theoretical description of the phenomenon of modulation of near-wall turbulence by large scale structures is investigated. The description given is simple in that the effect of large-scale structures is limited to a quasi-steady response…
In local effective potential theories of electronic structure, the electron correlations due to the Pauli exclusion principle, Coulomb repulsion, and correlation-kinetic effects, are all incorporated in the local electron-interaction…
We calculate zero-temperature correlation functions for a model of 2D interacting electrons with short-range interactions and a square Fermi surface. The model was arrived at by mapping electronic states near a square Fermi surface with…
We develop the formalism to investigate the relation between the evolution of the large-scale (quasi) linear structure and that of the small-scale nonlinear structure in Newtonian cosmology within the Lagrangian framework. In doing so, we…
As a first step towards a microscopic understanding of the effective interaction between colloidal particles suspended in a solvent we study the wetting behavior of one-component fluids at spheres and fibers. We describe these phenomena…
Interfacial structure and correlation functions near a two-dimensional (2D) wedge filling transition are studied using effective interfacial Hamiltonian models. An exact solution for short range binding potentials and results for Kratzer…
In core/shell quantum dots (QDs), the interface between semiconductors of different chemical character largely determines their optoelectronic properties. In III-V/II-VI systems, this boundary involves pronounced chemical and electronic…
We develop a semiclassical density functional theory in the context of quantum dots. Coulomb blockade conductance oscillations have been measured in several experiments using nanostructured quantum dots. The statistical properties of these…
A formalism using a double Laplace Fourier transform of the transport equation yields the return probabilities of the vacancy in the vicinity of the tracer atom in the presence of solute-vacancy interactions of arbitrary extension. Studying…
Using the properties of the local Boltzmann weights of integrable interaction-round-a-face (IRF or face) models we express local operators in terms of generalized transfer matrices. This allows for the derivation of discrete functional…
The static transverse and longitudinal correlation functions (CF) of a 3-dimensional ferromagnet are calculated for the exactly solvable anisotropic spherical model (ASM) determined as the limit D \to \infty of the classical D-component…
Most treatments of electron-electron correlations in dense plasmas either ignore them entirely (random phase approximation) or neglect the role of ions (jellium approximation). In this work, we go beyond both these approximations to derive…
Within the framework of density functional theory, the inclusion of exact exchange and non-local van der Waals/dispersion (vdW) interactions is crucial for predicting a microscopic structure of ambient liquid water that quantitatively…
Fluid-structure interaction models involve parameters that describe the solid and the fluid behavior. In simulations, there often is a need to vary these parameters to examine the behavior of a fluid-structure interaction model for…
A recently proposed local self-interaction correction (LSIC) method [Zope \textit{et al.} J. Chem. Phys., 2019,{\bf 151}, 214108] when applied to the simplest local density approximation provides significant improvement over standard…
Correlation functions, such as static and dynamic structure factors, offer a versatile approach to analyzing atomic-scale structure and dynamics. By having access to the full dynamics from atomistic simulations, they serve as valuable tools…
We analyze a linear 3D/3D fluid-structure interaction problem between a thin layer of a viscous fluid and a thin elastic plate-like structure with the aim of deriving a simplified reduced model. Based on suitable energy dissipation…
Density functional theory is used to study colloidal hard-rod fluids near an individual right-angled wedge or edge as well as near a hard wall which is periodically patterned with rectangular barriers. The Zwanzig model, in which the…
We present exact results for the dynamical structure function, i.e.~the density-density correlations for the 1/r^2 system of interacting particles at three special values of the coupling constant. The results are interpreted in terms of…
We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to construct an approximation for the exchange-correlation term of the Kohn-Sham approach. The resulting exchange-correlation potential is able to…