Related papers: A Vector-Based Algorithm for Generating Complete B…
The quantitative convergence to equilibrium for reaction-diffusion systems arising from complex balanced chemical reaction networks with mass action kinetics is studied by using the so-called entropy method. In the first part of the paper,…
Treating diffusion and advection/reaction separately is an effective strategy for solving semilinear advection-diffusion-reaction equations. However, such an approach is prone to suffer from order reduction, especially in the presence of…
We present conditions which guarantee a parametrization of the set of positive equilibria of a generalized mass-action system. Our main results state that (i) if the underlying generalized chemical reaction network has an effective…
The various ways to reduce number of vectors describing condition of particles for high energy physics problems are presented. In particular decomposition of any vector with respect to the basis, consisting of any four linearly independent…
The proposed methodology is procedural i.e. it follows finite number of steps that extracts relevant documents according to users query. It is based on principles of Data Mining for analyzing web data. Data Mining first adapts integration…
Anderson, Craciun, and Kurtz have proved that a stochastically modelled chemical reaction system with mass-action kinetics admits a stationary distribution when the deterministic model of the same system with mass-action kinetics admits an…
This paper deals with linear algebraic equations where the global coefficient matrix and constant vector are given respectively, by the summation of the coefficient matrices and constant vectors of the individual agents. Our approach is…
We show that discrete distributions on the $d$-dimensional non-negative integer lattice can be approximated arbitrarily well via the marginals of stationary distributions for various classes of stochastic chemical reaction networks. We…
Within a fully microscopic setting, we derive a variational principle for the non-equilibrium steady states of chemical reaction networks, valid for time-scales over which chemical potentials can be taken to be slowly varying: at…
The ability to reason beyond established knowledge allows Organic Chemists to solve synthetic problems and to invent novel transformations. Here, we propose a model which mimics chemical reasoning and formalises reaction prediction as…
Atom tracing is essential for understanding the fate of labeled atoms in biochemical reaction networks, yet existing computational methods either simplify label correlations or suffer from combinatorial explosion. We introduce a…
We consider discrete, iterative load balancing via matchings on arbitrary graphs. Initially each node holds a certain number of tokens, defining the load of the node, and the objective is to redistribute the tokens such that eventually each…
We present a new vectorial total variation method that addresses the problem of color consistent image filtering. Our approach is inspired from the double-opponent cell representation in the human visual cortex. Existing methods of…
We present the explicit bonding Reaction ensemble Monte Carlo (eb-RxMC) method, designed to sample reversible bonding reactions in macromolecular systems in thermodynamic equilibrium. Our eb-RxMC method is based on the Reaction ensemble…
Active Flux is a third order accurate numerical method which evolves cell averages and point values at cell interfaces independently. It naturally uses a continuous reconstruction, but is stable when applied to hyperbolic problems. In this…
A Monte Carlo method for computing the action of a matrix exponential for a certain class of matrices on a vector is proposed. The method is based on generating random paths, which evolve through the indices of the matrix, governed by a…
Utilizing quantum computer to investigate quantum chemistry is an important research field nowadays. In addition to the ground-state problems that have been widely studied, the determination of excited-states plays a crucial role in the…
In this paper, we propose a new method to identify biochemical reaction networks (i.e. both reactions and kinetic parameters) from heterogeneous datasets. Such datasets can contain (a) data from several replicates of an experiment performed…
We introduce KiNetX, a fully automated meta-algorithm for the kinetic analysis of complex chemical reaction networks derived from semi-accurate but efficient electronic structure calculations. It is designed to (i) accelerate the automated…
We consider reaction-transport processes in open reactors in which systems of first order reactions involving a number of gas species and solid catalysts can occur at localized active regions. Reaction products flow out of the reactor into…