Related papers: Explicit formulas for reaction probability in reac…
We study a one-dimensional particles system, in the overdamped limit, where nearest particles attract with a force inversely proportional to a power of their distance and coalesce upon encounter. The detailed shape of the distribution…
Complex systems of intracellular biochemical reactions have a central role in regulating cell identities and functions. Biochemical reaction systems are typically studied using the language and tools of graph theory. However, graph…
The purpose of this article is to investigate the emergence of cross-diffusion in the time evolution of two slow-fast species in competition. A class of triangular cross-diffusion system is obtained as the singular limit of a fast…
We present a new simulation method to calculate the free energy and the chemical potential of hard particle systems. The method relies on the introduction of a parameter dependent potential to smoothly transform between the hard particle…
In three-dimensional electromagnetic configurations that result from unstable resistive tearing modes particles can efficiently be accelerated to relativistic energies. To prove this resistive magnetohydrodynamic simulations are used as…
Studying chemical reactions, particularly in the gas phase, relies heavily on computing scattering matrix elements. These elements are essential for characterizing molecular reactions and accurately determining reaction probabilities.…
We study analytically and numerically a model describing front propagation of a KPP reaction in a fluid flow. The model consists of coupled one-dimensional reaction-diffusion equations with different drift coefficients. The main rigorous…
Biochemical reactions can happen on different time scales and also the abundance of species in these reactions can be very different from each other. Classical approaches, such as deterministic or stochastic approach, fail to account for or…
We derive a generalized gradient approximation to the exchange energy to be used in density functional theory calculations of two-dimensional systems. This class of approximations has a long and successful history, but it has not yet been…
Using the molecular dynamics method, we examine a discrete deterministic model for the motion of spherical particles in three-dimensional space. The model takes into account multiparticle collisions in arbitrary forms. Using fractional…
A method to generate reactive trajectories, namely equilibrium trajectories leaving a metastable state and ending in another one is proposed. The algorithm is based on simulating in parallel many copies of the system, and selecting the…
We proposed a formally exact, probabilistic method to assess the validity of the Thomas-Fermi potential for three-dimensional condensed matter systems where electron dynamics is constrained to the Fermi surface. Our method, which relies on…
We consider a system of reaction-diffusion equations with passive advection term and Lewis number not equal to one. Such systems are used to describe chemical reactions in a flow in a situation where temperature and material diffusivities…
Numerical algorithms to load relativistic Maxwell distributions in particle-in-cell (PIC) and Monte-Carlo simulations are presented. For stationary relativistic Maxwellian, the inverse transform method and the Sobol algorithm are reviewed.…
Enzymes within biochemical pathways are often colocalized, yet the consequences of specific spatial enzyme arrangements remain poorly understood. We study the impact of enzyme arrangement on reaction efficiency within a reaction-diffusion…
Graph-based reaction systems were recently introduced as a generalization of the intensely studied set-based reaction systems. They deal with simple edge-labeled directed graphs, and dynamic semantics of graph-based reaction systems is…
The one-dimensional flight of a fast electron flux in plasma is investigated taking into account generation and absorption of plasma waves. The transition from the kinetic description to the gas dynamics is made. The closed set of gas…
In many problems in particle cosmology, interaction rates are dominated by ${2}\leftrightarrow{2}$ scatterings, or get a substantial contribution from them, given that ${1}\leftrightarrow{2}$ and ${1}\leftrightarrow{3}$ reactions are…
Event-driven molecular dynamics is a valuable tool in condensed and soft matter physics when particles can be modeled as hard objects or more generally if their interaction potential can be modeled in a stepwise fashion. Hard spheres model…
We report the study of a random Lorentz gas with a reaction of isomerization $A\rightleftharpoons B$ between the two colors of moving particles elastically bouncing on hard disks. The reaction occurs when the moving particles collide on…