Related papers: Point-particle method to compute diffusion-limited…
We characterize the optical response of a three-level atom subjected to an incoherent pump and continuously illuminated with a weak, quasi-resonant probe field. To this end, we apply a wavefunction approach based on QED Hamiltonian…
In this manuscript we investigate the capabilities of the Discrete Dipole Approximation (DDA) to simulate scattering from particles that are much larger than the wavelength of the incident light, and describe an optimized publicly available…
Single-molecule localization microscopy allows practitioners to locate and track labeled molecules in biological systems. When extracting diffusion coefficients from the resulting trajectories, it is common practice to perform a linear fit…
The replication and differentiation of spots in reaction diffusion equations are studied by extending the Gray-Scott model with self-replicating spots to include many degrees of freedom needed to model systems with many chemicals. By…
We use a two-level simulation method to analyse the critical point associated with demixing of binary hard sphere mixtures. The method exploits an accurate coarse-grained model with two-body and three-body effective interactions. Using this…
The goal of this study is to propose an efficient numerical model for the predictions of capillary adsorption phenomena in a porous material. The Scharfetter-Gummel numerical scheme is proposed to solve an advection-diffusion equation with…
A determinantal point process is a stochastic point process that is commonly used to capture negative correlations. It has become increasingly popular in machine learning in recent years. Sampling a determinantal point process however…
We study the positive stationary solutions of a standard finite-difference discretization of the semilinear heat equation with nonlinear Neumann boundary conditions. We prove that, if the absorption is large enough, compared with the flux…
Smoothed dissipative particle dynamics (SDPD) is a widely used particle-based method for modelling soft matter systems at mesoscopic and macroscopic scales, offering thermodynamic consistency and direct control over the fluid's transport…
Mathematical models of transport and reactions in biological systems have been traditionally written in terms of partial differential equations (PDEs) that describe the time evolution of population-level variables. In recent years, the use…
We present a practical cell-centred volume-of-fluid method developed within a pure Eulerian setting for the simulation of compressible solid-fluid problems. The method builds on a previously published diffuse-interface Godunov-type scheme…
We derive a set of algorithms for simulating the diffusion-limited growth of faceted crystals using local cellular automata. This technique has been shown to work well in reproducing realistic crystal morphologies, and the present work…
We consider the problem of simulating diffusion bridges, which are diffusion processes that are conditioned to initialize and terminate at two given states. The simulation of diffusion bridges has applications in diverse scientific fields…
Self-similar solutions of the coherent diffusion equation are derived and measured. The set of real similarity solutions is generalized by the introduction of a nonuniform phase surface, based on the elegant Gaussian modes of optical…
Absorbing-boundary-condition method and its applications to nuclear responses and breakup reactions are reported. The method facilitates calculations of the continuum states in the coordinate space of many degrees of freedom. Properties of…
Discrete element method simulations of confined bidisperse granular shear flows elucidate the balance between diffusion and segregation that can lead to either mixed or segregated states, depending on confining pressure. Results indicate…
We introduce a model description of femtosecond laser induced desorption at surfaces. The substrate part of the system is taken into account as a (possibly semi-infinite) linear chain. Here, being especially interested in the early stages…
We present a novel function fitting method for approximating the propagation of the time-dependent electric dipole moment from real-time electronic structure calculations. Real-time calculations of the electronic absorption spectrum require…
The use of fully or partially absorbing boundary conditions for diffusion-based problems has become paradigmatic in physical chemistry and biochemistry to describe reactions occurring in solutions or in living media. However, as chemical…
We introduce a novel mesoscopic computational model based on a multiphase-multicomponent lattice Boltzmann method for the simulation of self-phoretic particles in the presence of liquid-liquid interfaces. Our model features fully resolved…