Related papers: Analytical Interaction Potential for Lennard-Jones…
We develop an efficient Ewald method of molecular dynamics simulation for calculating the electrostatic interactions among charged and polar particles between parallel metallic plates, where we may apply an electric field with an arbitrary…
One of the most challenging and basic problems in elastic rod dynamics is a description of rods in contact that prevents any unphysical self-intersections. Most previous works addressed this issue through the introduction of short-range…
We implemented a coarse-graining procedure to construct mesoscopic models of complex molecules. The final aim is to obtain better results on properties depending on slow modes of the molecules. Therefore the number of particles considered…
The prediction of the three-dimensional structures of the native state of proteins from the sequences of their amino acids is one of the most important challenges in molecular biology. An essential ingredient to solve this problem within…
We have proposed an efficient parameterization method for a recent variant of the Gay-Berne potential for dissimilar and biaxial particles and demonstrated it for a set of small organic molecules. Compared to the previously proposed…
We introduced some contact potentials that can be written as a linear combination of the Dirac delta and its first derivative, the $\delta$-$\delta'$ interaction. After a simple general presentation in one dimension, we briefly discuss a…
We predict the structural interaction of crystalline solid-melt interfaces using amplitude equations which are derived from classical density functional theory or phase-field-crystal modeling. The solid ordering decays exponentially on the…
The theory of inhomogeneous analytic materials is developed. These are materials where the coefficients entering the equations involve analytic functions. Three types of analytic materials are identified. The first two types involve an…
An identity that relates multipolar solutions of the Einstein equations to Newtonian potentials of bars with linear densities proportional to Legendre polynomials is used to construct analytical potential-density pairs of infinitesimally…
We have investigated a holographic model of a multi-layered superconductor in (2+1)-dimensions using the AdS/CFT correspondence. This correspondence allows us to study strongly interacting condensed matter systems through a weakly…
The aim of this paper is to present an analytical calculation of the chemical potential of a Lennard Jones fluid. The integration range is divided into two regions. In the small distance region,which is $r\leq\sigma$ in the usual…
We analyze the asymptotic behavior of a junction problem between a plate and a perpendicular rod made of a nonlinear elastic material. The two parts of this multi-structure have small thicknesses of the same order $\delta$. We use the…
We theoretically and experimentally investigate colloid-oil-water-interface interactions of charged, sterically stabilized, poly(methyl-methacrylate) colloidal particles dispersed in a low-polar oil (dielectric constant $\epsilon=5-10$)…
The general form of the electrostatic potential around an arbitrarily charged colloid at an interface between a dielectric and a screening phase (such as air and water, respectively) is analyzed in terms of a multipole expansion. The…
We take a bottom-up approach to find the interaction potential between the $AdS$ black hole molecules under mean-field approximation. We start with the equation of state of dyonic $AdS$ black holes in fixed charge ensemble and use the…
The term "long-range interactions" refers to electrostatic and magnetostatic potential energies between atoms and molecules with mutual distances ranging from a few tens to a few hundreds Bohr radii. The involved energies are much smaller…
A system of interacting Brownian particles subject to short-range repulsive potentials is considered. A continuum description in the form of a nonlinear diffusion equation is derived systematically in the dilute limit using the method of…
The crucial problem for better understanding the nature of glass transition and related relaxation phenomena is to find proper interrelations between molecular dynamics and thermodynamics of viscous systems. To gain this aim the recently…
Analytical forces have been derived in the Lagrangian framework for several random phase approximation (RPA) correlated total energy methods based on the range separated hybrid (RSH) approach, which combines a short-range density functional…
We calculate the elastic field mediated interaction between macroscopic particles in a columnar hexagonal phase. The interaction is found to be long-ranged and non-central, with both attractive and repulsive parts. We show how the…