Related papers: Sequential cavity method for computing free energy…
Using classical density functional theory, we study the behavior of dimers, i.e. hard rods of length $L=2$, on a two-dimensional cubic lattice. For deriving a free energy functional, we employ Levy's prescription which is based on the…
In dealing with high-dimensional data, factor models are often used for reducing dimensions and extracting relevant information. The spectrum of covariance matrices from power data exhibits two aspects: 1) bulk, which arises from random…
Surface tension and wetting are dominating physical effects in micro and nanoscale flows. We present an efficient and reliable model of surface tension and equilibrium contact angles in Smoothed Particle Hydrodynamics for free-surface…
For the evolution of a closed surface under anisotropic surface diffusion with a general anisotropic surface energy $\gamma(\boldsymbol{n})$ in three dimensions (3D), where $\boldsymbol{n}$ is the unit outward normal vector, by introducing…
We present continuum and lattice calculations for elastic scattering between a fermion and a bound dimer in the shallow binding limit. For the continuum calculation we use the Skorniakov-Ter-Martirosian (STM) integral equation to determine…
We present a semiempirical pseudopotential method based on screened atomic pseudopotentials and derived from \textit{ab initio} calculations. This approach is motivated by the demand for pseudopotentials able to address nanostructures,…
The surface tension of interacting polymers in a good solvent is calculated theoretically and by computer simulations for a planar wall geometry and for the insertion of a single colloidal hard-sphere. This is achieved for the planar wall…
A hybrid lattice Boltzmann method (LBM) for binary mixtures based on the free-energy approach is proposed. Non-ideal terms of the pressure tensor are included as a body force in the LBM kinetic equations, used to simulate the continuity and…
The effective-surface approximation is extended taking into account derivatives of the symmetry-energy density per particle with respect to the mean particle density. The isoscalar and isovector particle densities in this extended…
A lack of regularity in the solution of the porous medium equation poses a serious challenge in its theoretical and numerical studies. A common strategy in theoretical studies is to utilize the pressure formulation of the equation where a…
In this study, we carried out equilibrium molecular dynamics (EMD) simulations of the liquid-liquid interface between two different Lennard-Jones components with varying miscibility, where we examined the relation between the interfacial…
Semi-implicit methods are powerful and efficient tools for the three-dimensional modeling of coastal and oceanic processes. A semi-implicit finite difference method for 3D hydrostatic primitive equations is presented in this paper. The…
The dynamical equations describing the evolution of a self-gravitating fluid of cold dark matter (CDM) can be written in the form of a Schrodinger equation coupled to a Poisson equation describing Newtonian gravity. It has recently been…
Accurate, global Potential Energy Surfaces (PES) expressed in sum-of-products (SOP) form are a prerequisite for efficient high-dimensional quantum dynamics simulations using the MCTDH method. This work introduces a methodology for…
We propose a method to efficiently determine the optimal coarse-grained force field in mesoscopic stochastic simulations of Newtonian fluid and polymer melt systems modeled by dissipative particle dynamics (DPD) and energy conserving…
We develop a systematic field theoretic description for the roughness correction to the Casimir free energy of parallel plates. Roughness is modeled by specifying a generating functional for correlation functions of the height profile, the…
The effective stress parameter, $\chi$, is essential for calculating the effective stress in unsaturated soils. Experimental measurements have captured different relationships between $\chi$ and the degree of saturation, $S_r$; however,…
The $SU(3)$ spin model with chemical potential corresponds to a simplified version of QCD with static quarks in the strong coupling regime. It has been studied previously as a testing ground for new methods aiming to overcome the sign…
We investigate relations between spatial properties of the free energy and the radius of Gaussian curvature of the underlying curved lattice geometries. For this purpose we derive recurrence relations for the analysis of the free energy…
Simulations in finite density, beta=0 lattice QCD by means of the Monomer-Dimer-Polymer algorithm show a signal of first order transition at finite temporal size. This behaviour agrees with predictions of the mean field approximation, but…