Related papers: A Laplace Transform Method for Molecular Mass Dist…
We develop a novel method of replica-exchange molecular dynamics (REMD) simulation, mass-scaling REMD (MSREMD) method, which improves trajectory accuracy at high temperatures, and thereby contributes to numerical stability. In addition, the…
A method is given for calculation of a distribution of small particles, embedded in a medium, so that the resulting medium would have a desired radiation pattern for the plane wave scattering by this medium.
A parameterization strategy for molecular models on the basis of force fields is proposed, which allows a rapid development of models for small molecules by using results from quantum mechanical (QM) ab initio calculations and thermodynamic…
In this work we derive an inversion formula for the Laplace transform of a density observed on a curve in the complex domain, which generalizes the well known Post-Widder formula. We establish convergence of our inversion method and derive…
The Lagrange-mesh $R$-matrix method is generalized to inhomogeneous equations. This method is numerically stable and efficient. It can be directly used for transfer reactions with the formalism discussed by Ascuitto and Glendenning [Phys.…
Many glass-forming fluids exhibit a remarkable thermodynamic scaling in which dynamic properties, such as the viscosity, the relaxation time, and the diffusion constant, can be described under different thermodynamic conditions in terms of…
Transmission matrices, mapping the propagation of light from one end of the tissue to the other, form an important mathematical tool in the analysis of tissue scattering and the design of wavefront shaping systems. To understand the…
We carry out computer simulations of a simple, two-dimensional off-lattice model that exhibits inverse melting. The monodisperse system comprises core-softened disks interacting through a repulsive square shoulder located inside an…
In this work we present a generalised viscoelastic model using distributed-order derivatives. The model consists of two distributed-order elements (distributed springpots) connected in series, as in the Maxwell model. The new model…
Microfluidic devices are increasingly used in biological and chemical experiments due to their cost-effectiveness for rheological estimation in fluids. However, these devices often face challenges in terms of accuracy, size, and cost. This…
The size distribution of marine microplastics provides a fundamental data source for understanding the dispersal, break down, and biotic impacts of the microplastics in the ocean. The observed size distribution at the sea surface generally…
We conduct molecular dynamics computer simulations of a system of Lennard-Jones particles, polydisperse in both size and mass, at a fixed density and temperature. We test for and quantify systematic changes in dynamical properties that…
The Foldy-Lax equation is generalized for a medium which consists of particles with both electric and magnetic responses. The result is used to compute fields scattered from ensembles of particles. The computational complexity is reduced by…
In statistical applications, the normal and the Laplace distributions are often contrasted: the former as a standard tool of analysis, the latter as its robust counterpart. I discuss the convolutions of these two popular distributions and…
This review describes the analytical calculation of lateral pressure profile in lipid membrane with finite curvature. The derivation is based on the previously developed microscopic model of flexible strings [1,2]. According to this theory…
The atmospheres of planets (including Earth) and the outer layers of stars have often been treated in radiative transfer as plane-parallel media, instead of spherical shells, which can lead to inaccuracy, e.g. limb darkening. We give an…
The energy loss of a relativistic charge undergoing multiple scatterings while traversing an infinite, polarizable and absorptive plasma is investigated. Polarization and damping mechanisms in the medium are phenomenologically modelled by a…
Mass-conserving reaction-diffusion (MCRD) systems are widely used to model phase separation and pattern formation in cell polarity, biomolecular condensates, and ecological systems. Numerical simulations and formal asymptotic analysis…
We discuss the propagation of harmonic and transient waves for systems governed by a wave equation with memory whose integral kernel involves ratios of modified Bessel functions of the first kind in the Laplace domain. In particular, the…
A model of randomly distributed overlapping spheres of different radii is represented to describe a heterogeneous porous medium. Two-particle correlation function of the relative position of pores of different radii in the medium space was…