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Chemical reaction networks (CRNs) are a standard formalism used in chemistry and biology to reason about the dynamics of molecular interaction networks. In their interpretation by ordinary differential equations, CRNs provide a…

Quantitative Methods · Quantitative Biology 2020-07-28 Mathieu Hemery , François Fages , Sylvain Soliman

The popularity of molecular computation has given rise to several models of abstraction, one of the more recent ones being Chemical Reaction Networks (CRNs). These are equivalent to other popular computational models, such as Vector…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-02-28 Robert M. Alaniz , Bin Fu , Timothy Gomez , Elise Grizzell , Andrew Rodriguez , Marco Rodriguez , Robert Schweller , Tim Wylie

The Chemical Reaction Network (CRN) is a well-studied model that describes the interaction of molecules in well-mixed solutions. In 2014, Qian and Winfree [22] proposed the abstract surface chemical reaction network model (sCRN), which…

Computational Complexity · Computer Science 2024-06-14 Yi-Xuan Lee , Ho-Lin Chen

Chemical Reaction Networks (CRNs) are a well-established model of distributed computing characterized by quantities of molecular species that can transform or change through applications of reactions. A fundamental problem in CRNs is the…

Computational Complexity · Computer Science 2026-04-21 Divya Bajaj , Bin Fu , Ryan Knobel , Austin Luchsinger , Aiden Massie , Pablo Santos , Ramiro Santos , Robert Schweller , Evan Tomai , Tim Wylie

Chemical reaction networks (CRNs) model the behavior of molecules in a well-mixed system. The emerging field of molecular programming uses CRNs not only as a descriptive tool, but as a programming language for chemical computation.…

Computational Complexity · Computer Science 2015-09-04 Adam Case , Jack H. Lutz , D. M. Stull

Chemical reaction networks (CRNs) are prototypical complex systems because reactions are nonlinear and connected in intricate ways, and they are also essential to understand living systems. Here, I discuss how recent developments in…

Statistical Mechanics · Physics 2020-12-23 Massimiliano Esposito

We present a differentiable formulation of abstract chemical reaction networks (CRNs) that can be trained to solve a variety of computational tasks. Chemical reaction networks are one of the most fundamental computational substrates used by…

Molecular Networks · Quantitative Biology 2023-02-07 Alexander Mordvintsev , Ettore Randazzo , Eyvind Niklasson

We consider the computational complexity of reconfiguration problems, in which one is given two combinatorial configurations satisfying some constraints, and is asked to transform one into the other using elementary transformations, while…

Computational Complexity · Computer Science 2020-01-17 Jean Cardinal , Erik D. Demaine , David Eppstein , Robert A. Hearn , Andrew Winslow

Chemical reaction networks (CRNs) exhibit complex dynamics governed by their underlying network structure. In this paper, we propose a novel approach to study the dynamics of CRNs by representing them on species graphs (S-graphs). By…

Molecular Networks · Quantitative Biology 2024-04-24 Keisuke Sugie , Dimitri Loutchko , Tetsuya J. Kobayashi

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

Across many disciplines, chemical reaction networks (CRNs) are an established population model defined as a system of coupled nonlinear ordinary differential equations. In many applications, for example, in systems biology and epidemiology,…

Systems and Control · Electrical Eng. & Systems 2023-01-23 Kim G. Larsen , Daniele Toller , Mirco Tribastone , Max Tschaikowski , Andrea Vandin

Chemical reaction networks (CRNs) formally model chemistry in a well-mixed solution. CRNs are widely used to describe information processing occurring in natural cellular regulatory networks, and with upcoming advances in synthetic biology,…

Computational Complexity · Computer Science 2013-04-17 David Doty

We present the first results on the parameterized complexity of reconfiguration problems, where a reconfiguration version of an optimization problem $Q$ takes as input two feasible solutions $S$ and $T$ and determines if there is a sequence…

Computational Complexity · Computer Science 2013-08-23 Amer E. Mouawad , Naomi Nishimura , Venkatesh Raman , Narges Simjour , Akira Suzuki

In the \textsc{Coloring Reconfiguration} problem, we are given two proper $k$-colorings of a graph and asked to decide whether one can be transformed into the other by repeatedly applying a specified recoloring rule, while maintaining a…

Data Structures and Algorithms · Computer Science 2025-11-11 Janosch Fuchs , Rin Saito , Tatsuhiro Suga , Takahiro Suzuki , Yuma Tamura

Formal methods have enabled breakthroughs in many fields, such as in hardware verification, machine learning and biological systems. The key object of interest in systems biology, synthetic biology, and molecular programming is chemical…

Emerging Technologies · Computer Science 2020-08-11 Marko Vasic , David Soloveichik , Sarfraz Khurshid

The analysis of the structure of chemical reaction networks is crucial for a better understanding of chemical processes. Such networks are well described as hypergraphs. However, due to the available methods, analyses regarding network…

Computational Complexity · Computer Science 2013-09-30 Rolf Fagerberg , Christoph Flamm , Daniel Merkle , Philipp Peters , Peter F. Stadler

Stochastic chemical reaction networks (CRNs) are complex systems which combine the features of concurrent transformation of multiple variables in each elementary reaction event, and nonlinear relations between states and their rates of…

Chemical Physics · Physics 2017-12-06 Eric Smith , Supriya Krishnamurthy

Motivation: A Chemical Reaction Network (CRN) is a set of chemical reactions, which can be very complex and difficult to analyze. Indeed, dynamical properties of CRNs can be described by a set of non-linear differential equations that…

Computational Engineering, Finance, and Science · Computer Science 2021-07-02 Lucia Nasti , Roberta Gori , Paolo Milazzo , Federico Poloni

Reaction networks (RNs) comprise a set $X$ of species and a set $\mathscr{R}$ of reactions $Y\to Y'$, each converting a multiset of educts $Y\subseteq X$ into a multiset $Y'\subseteq X$ of products. RNs are equivalent to directed…

Molecular Networks · Quantitative Biology 2022-01-06 Stefan Müller , Christoph Flamm , Peter F. Stadler

Chemical reactor networks (CRNs) enable simulations of combustion reactors with detailed chemical kinetics and strongly simplified flow structure. In this paper, the implementation of a reactor component with less idealized flow structure,…

Fluid Dynamics · Physics 2023-05-22 Lisanne Gossel , Mathis Fricke , Dieter Bothe
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