Related papers: Kinetic Monte Carlo simulations of the grain-surfa…
Lattice-based stochastic simulators are commonly used to study biological reaction-diffusion processes. Some of these schemes that are based on the reaction-diffusion master equation (RDME), can simulate for extended spatial and temporal…
Semi-empirical molecular dynamics is used to simulate hydrocarbon grain sputtering and collisions which are extremely difficult to study experimentally. This microscopic and dynamic approach is particularly suited to high velocity impacts,…
Observational evidence seems to indicate that the depletion of interstellar carbon into dust shows rather wide variations and that carbon undergoes rather rapid recycling in the interstellar medium (ISM). Small hydrocarbon grains are…
We present a kinetic Monte Carlo method for simulating chemical transformations specified by reaction rules, which can be viewed as generators of chemical reactions, or equivalently, definitions of reaction classes. A rule identifies the…
The inner Solar System is depleted in refractory carbon in comparison to the interstellar medium and the depletion likely took place in the protoplanetary disk phase of the Solar System. We study the effect of photolysis of refractory…
Light transfer in gradient-index media generally follows curved ray trajectories, which will cause light beam to converge or diverge during transfer and induce the rotation of polarization ellipse even when the medium is transparent.…
We propose a modification, based on the RESTART (repetitive simulation trials after reaching thresholds) and DPR (dynamics probability redistribution) rare event simulation algorithms, of the standard diffusion Monte Carlo (DMC) algorithm.…
A diffusion Monte Carlo algorithm is introduced that can determine the correct nodal structure of the wave function of a few-fermion system and its ground-state energy without an uncontrolled bias. This is achieved by confining signed…
The interaction of dust grains originating from the local interstellar cloud with the environment inside the heliosphere is investigated. As a consequence of this interaction the spatial distribution of interstellar dust grains changes with…
Cellular scale decision making is modulated by the dynamics of signalling molecules and their diffusive trajectories from a source to small absorbing sites on the cellular surface. Diffusive capture problems are computationally challenging…
The work is devoted to particles dynamics simulation in a colloidal drop, when it dries on a substrate and the triple-phase boundary is fixed. Experimental observations [Deegan R. D. et. al., 2000] show a ring deposition on a solid…
A Monte Carlo simulation of chemotactic bacteria is developed on the basis of the kinetic model and is applied to a one-dimensional traveling population wave in a microchannel. In this simulation, the Monte Carlo method, which calculates…
This paper offers a personal review of some things we've learned about rates of convergence of Markov chains to their stationary distributions. The main topic is ways of speeding up diffusive behavior. It also points to open problems and…
We investigate how the existence of hydrogen molecules on grain surfaces may affect H$_2$ formation efficiency in diffuse and translucent clouds. Hydrogen molecules are able to reduce the desorption energy of H atoms on grain surfaces in…
We investigate the ionization of the diffuse interstellar medium by cosmic rays by modeling their propagation along the wandering magnetic fields using a Monte Carlo method. We study how low-energy cosmic rays propagate in turbulent,…
Periodic reversals of the direction of motion in systems of self-propelled rod shaped bacteria enable them to effectively resolve traffic jams formed during swarming and maximize their swarming rate. In this paper, a connection is found…
We determine the critical layer thickness for the appearance of misfit dislocations as a function of the misfit between the lattice constants of the substrate and the adsorbate from Kinetic Monte Carlo (KMC) simulations of heteroepitaxial…
In this comprehensive and detailed study, vacancy-mediated self-diffusion of A- and B-elements in 'triple-defect' B2-ordered ASB(1-S) binaries is simulated by means of a kinetic Monte Carlo (KMC) algorithm involving atomic jumps to…
We report developments of the kinetic Monte Carlo (KMC) method with improved accuracy and increased versatility for the description of atomic diffusivity on metal surfaces. The on-lattice constraint built into our recently proposed…
Pattern formation in a two-dimensional system of rod-like particles has been simulated using a lattice approach. Rod-like particles were modelled as linear $k$-mers of two mutually perpendicular orientations ($k_x$- and $k_y$-mers) on a…