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The fundamental decomposition of a chemical reaction network (also called its "$\mathscr{F}$-decomposition") is the set of subnetworks generated by the partition of its set of reactions into the "fundamental classes" introduced by Ji and…

Dynamical Systems · Mathematics 2020-02-19 Bryan S. Hernandez , Eduardo R. Mendoza , Aurelio A. de los Reyes

Power law systems have been studied extensively due to their wide-ranging applications, particularly in chemistry. In this work, we focus on power law systems that can be decomposed into stoichiometrically independent subsystems. We show…

Dynamical Systems · Mathematics 2024-04-23 Al Jay Lan J. Alamin , Bryan S. Hernandez

Studies about the set of positive equilibria ($E_+$) of kinetic systems have been focused on mass action, and not that much on power law kinetic (PLK) systems, even for PL-RDK systems (PLK systems where two reactions with identical reactant…

Dynamical Systems · Mathematics 2022-04-06 Bryan S. Hernandez , Eduardo R. Mendoza

Mass-action kinetics is frequently used in systems biology to model the behaviour of interacting chemical species. Many important dynamical properties are known to hold for such systems if they are weakly reversible and have a low…

Dynamical Systems · Mathematics 2014-07-15 Matthew D. Johnston , David Siegel , Gábor Szederkényi

A decomposition of a chemical reaction network (CRN) is produced by partitioning its set of reactions. The partition induces networks, called subnetworks, that are "smaller" than the given CRN which, at this point, can be called parent…

Molecular Networks · Quantitative Biology 2021-09-15 Lauro L. Fontanil , Eduardo R. Mendoza

A dynamical system obtains a wide variety of kinetic realizations, which is advantageous for the analysis of biochemical systems. A reaction network, derived from a dynamical system, may or may not possess some properties needed for a…

Molecular Networks · Quantitative Biology 2024-05-01 Dylan Antonio Talabis , Eduardo Mendoza

Chemical reaction networks (CRNs) are directed graphs with reactant or product complexes as vertices, and reactions as arcs. A CRN is weakly reversible if each of its connected components is strongly connected. Weakly reversible networks…

The fundamental decomposition of a chemical reaction network (CRN) is induced by partitioning the reaction set into "fundamental classes". It was the basis of the Higher Deficiency Algorithm for mass action systems of Ji and Feinberg, and…

Dynamical Systems · Mathematics 2020-08-13 Bryan S. Hernandez

Very often, models in biology, chemistry, physics, and engineering are systems of polynomial or power-law ordinary differential equations, arising from a reaction network. Such dynamical systems can be generated by many different reaction…

Dynamical Systems · Mathematics 2020-01-01 Gheorghe Craciun , Jiaxin Jin , Polly Y. Yu

An algorithm is given in this paper for the computation of dynamically equivalent weakly reversible realizations with the maximal number of reactions, for chemical reaction networks (CRNs) with mass action kinetics. The original problem…

Dynamical Systems · Mathematics 2011-07-05 Gabor Szederkenyi , Katalin M. Hangos , Zsolt Tuza

We show that weakly reversible mass-action systems can have a continuum of positive steady states, coming from the zeroes of a multivariate polynomial. Moreover, the same is true of systems whose underlying reaction network is reversible…

Molecular Networks · Quantitative Biology 2022-09-14 Balázs Boros , Gheorghe Craciun , Polly Y. Yu

This paper presents a computational solution to determine if a chemical reaction network endowed with power-law kinetics (PLK system) has the capacity for multistationarity, i.e., whether there exist positive rate constants such that the…

Dynamical Systems · Mathematics 2020-02-19 Bryan S. Hernandez , Eduardo R. Mendoza , Aurelio A. de los Reyes

Robustness against the presence of environmental disruptions can be observed in many systems of chemical reaction network. However, identifying the underlying components of a system that give rise to robustness is often elusive. The…

Dynamical Systems · Mathematics 2020-03-31 Noel T. Fortun , Angelyn R. Lao , Luis F. Razon , Eduardo R. Mendoza

The stochastic systems without detailed balance are common in various chemical reaction systems, such as metabolic network systems. In studies of these systems, the concept of potential landscape is useful. However, what are the sufficient…

Mathematical Physics · Physics 2015-05-20 Weihua Mu , Xiaoqing Li , Zhongcan Ou-Yang

A chemical reaction network (CRN) is composed of reactions that can be seen as interactions among entities called species, which exist within the system. Endowed with kinetics, CRN has a corresponding set of ordinary differential equations…

Dynamical Systems · Mathematics 2021-04-20 Bryan S. Hernandez , Ralph John L. De la Cruz

A complex balanced kinetic system is absolutely complex balanced (ACB) if every positive equilibrium is complex balanced. Two results on absolute complex balancing were foundational for modern chemical reaction network theory (CRNT): in…

Dynamical Systems · Mathematics 2021-12-28 Editha C. Jose , Eduardo R. Mendoza , Dylan Antonio SJ. Talabis

A natural condition on the structure of the underlying chemical reaction network, namely weak reversibility, is shown to guarantee the existence of an equilibrium (steady state) in each positive stoichiometric compatibility class for the…

Quantitative Methods · Quantitative Biology 2011-11-14 Jian Deng , Christopher Jones , Martin Feinberg , Adrian Nachman

A reaction network together with a choice of rate constants uniquely gives rise to a system of differential equations, according to the law of mass-action kinetics. On the other hand, different networks can generate the same dynamical…

Dynamical Systems · Mathematics 2021-05-18 Gheorghe Craciun , Jiaxin Jin , Polly Y. Yu

We investigate the existence of weak solutions to a multi-component system, consisting of compressible chemically reacting components, coupled with the compressible Stokes equation for the velocity. Specifically, we consider the case of…

Analysis of PDEs · Mathematics 2025-08-26 Piotr B. Mucha , Sarka Necasova , Maja Szlenk

We theoretically derive and validate with large scale simulations a remarkably accurate power law scaling of errors for the restricted active space density matrix renormalization group (DMRG-RAS) method [arXiv:2111.06665] in electronic…

Chemical Physics · Physics 2023-04-04 Gero Friesecke , Gergely Barcza , Örs Legeza
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