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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

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

Coupled chemical interactions in a well-mixed solution are commonly formalized as chemical reaction networks (CRNs). However, despite the widespread use of CRNs in the natural sciences, the range of computational behaviors exhibited by CRNs…

Emerging Technologies · Computer Science 2023-04-11 Ho-Lin Chen , David Doty , Wyatt Reeves , David Soloveichik

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

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

Chemical reaction networks (CRNs) model the behavior of chemical reactions in well-mixed solutions and they can be designed to perform computations. In this tutorial we give an overview of various computational models for CRNs. Moreover, we…

Emerging Technologies · Computer Science 2018-11-27 Robert Brijder

Biological regulatory networks depend upon chemical interactions to process information. Engineering such molecular computing systems is a major challenge for synthetic biology and related fields. The chemical reaction network (CRN) model…

Emerging Technologies · Computer Science 2020-09-23 Cameron Chalk , Niels Kornerup , Wyatt Reeves , David Soloveichik

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

Chemical reaction networks (CRNs) provide a convenient language for modelling a broad variety of biological systems. These models are commonly studied with respect to the time series they generate in deterministic or stochastic simulations.…

Molecular Networks · Quantitative Biology 2019-07-11 Ozan Kahramanoğulları

This paper studies the (discrete) \emph{chemical reaction network (CRN)} computational model that emerged in the last two decades as an abstraction for molecular programming. The correctness of CRN protocols is typically established under…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-07-04 Anne Condon , Yuval Emek , Noga Harlev

Chemical reaction networks (CRN) comprise an important class of models to understand biological functions such as cellular information processing, the robustness and control of metabolic pathways, circadian rhythms, and many more. However,…

Molecular Networks · Quantitative Biology 2025-03-25 Dimitri Loutchko , Yuki Sughiyama , Tetsuya J. Kobayashi

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

Chemical reactions occur in energy, environmental, biological, and many other natural systems, and the inference of the reaction networks is essential to understand and design the chemical processes in engineering and life sciences. Yet,…

Molecular Networks · Quantitative Biology 2021-01-22 Weiqi Ji , Sili Deng

Molecular computation based on chemical reaction networks (CRNs) has emerged as a promising paradigm for designing programmable biochemical systems. However, the implementation of complex computations still requires excessively large and…

Molecular Networks · Quantitative Biology 2025-06-17 Renlei Jiang , Yuzhen Fan , Di Fan , Chuanhou Gao , Denis Dochain

We consider how to generate chemical reaction networks (CRNs) from functional specifications. We propose a two-stage approach that combines synthesis by satisfiability modulo theories and Markov chain Monte Carlo based optimisation. First,…

Emerging Technologies · Computer Science 2015-08-19 Neil Dalchau , Niall Murphy , Rasmus Petersen , Boyan Yordanov

Random graph models have been instrumental in characterizing complex networks, but chemical reaction networks (CRNs) are better represented as hypergraphs. Traditional models of random CRNs often reduce CRNs to bipartite graphs,…

Statistical Mechanics · Physics 2025-07-15 Shesha Gopal Marehalli Srinivas , Massimiliano Esposito , Nahuel Freitas

Chemical reaction networks (CRNs) are fundamental computational models used to study the behavior of chemical reactions in well-mixed solutions. They have been used extensively to model a broad range of biological systems, and are primarily…

Molecular Networks · Quantitative Biology 2021-05-13 J. N. Mueller , J. N. Corcoran

We investigate the dynamics of chemical reaction networks (CRNs) with the goal of deriving an upper bound on their reaction rates. This task is challenging due to the nonlinear nature and discrete structure inherent in CRNs. To address…

Chemical Physics · Physics 2023-09-20 Tsuyoshi Mizohata , Tetsuya J. Kobayashi , Louis-S. Bouchard , Hideyuki Miyahara

While the field of first-principles explorations into chemical reaction space has been continuously growing, the development of strategies for analyzing resulting chemical reaction networks (CRNs) is lagging behind. A CRN consists of…

Chemical Physics · Physics 2022-12-19 Paul L. Türtscher , Markus Reiher

Chemical reaction networks (CRNs) model systems where molecules interact according to a finite set of reactions such as $A + B \to C$, representing that if a molecule of $A$ and $B$ collide, they disappear and a molecule of $C$ is produced.…

Computational Complexity · Computer Science 2026-01-21 David Doty , Ben Heckmann
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