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Living systems operate out of equilibrium, continuously consuming energy to sustain organised, functional states. Their emergent behaviour usually relies on a set of interconnected chemical reaction networks (CRNs) driven by external fluxes…

Statistical Mechanics · Physics 2026-02-03 Shiling Liang , Paolo De Los Rios , Daniel Maria Busiello

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

The study of the dynamics of chemical reactions, and in particular phenomena such as oscillating reactions, has led to the recognition that many dynamical properties of a chemical reaction can be predicted from graph theoretical properties…

Dynamical Systems · Mathematics 2022-11-08 J. J. P. Veerman , Tessa Whalen-Wagner , Ewan Kummel

Current-controlled (also known as "S-type") negative differential resistance (NDR) is of crucial importance to many emerging applications including neuromorphic computing and high-density memristors integration. However, the experimental…

Mesoscale and Nanoscale Physics · Physics 2019-01-23 Miao Wang , Chengyu Wang , Chenchen Wu , Qiao Li , Chen Pan , Cong Wang , Shi-Jun Liang , Feng Miao

Near equilibrium, where all currents of a system vanish on average, the fluctuation-dissipation relation (FDR) connects a current's spontaneous fluctuations with its response to perturbations of the conjugate thermodynamic force. Out of…

Statistical Mechanics · Physics 2016-11-02 Bernhard Altaner , Matteo Polettini , Massimiliano Esposito

Cooperativity arising from local interactions in equilibrium receptor systems provides gain, but does not increase sensory performance, as measured by the signal-to-noise ratio (SNR) due to a fundamental tradeoff between gain and intrinsic…

Molecular Networks · Quantitative Biology 2013-07-12 Monica Skoge , Sahin Naqvi , Yigal Meir , Ned S. Wingreen

Motivated by recent experiments, we have studied transport behavior of coupled quantum dot systems in the Coulomb blockade regime using the master (rate) equation approach. We explore how electron-electron interactions in a donor-acceptor…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Prakash Parida , S Lakshmi , Swapan K Pati

Chemical affinities are responsible for driving active matter systems out of equilibrium. At the nano-scale, molecular machines interact with the surrounding environment and are subjected to external forces. The mechano-chemical coupling…

Soft Condensed Matter · Physics 2025-01-03 Michalis Chatzittofi , Jaime Agudo-Canalejo , Ramin Golestanian

We unravel the critical role of vibrational mode softening in single-molecule electronic devices at high bias. Our theoretical analysis is carried out with a minimal model for molecular junctions, with mode softening arising due to…

Mesoscale and Nanoscale Physics · Physics 2020-08-18 Junjie Liu , Dvira Segal

We have studied the transport properties of a molecular device composed of donor and acceptor moieties between two electrodes on either side. The device is considered to be one-dimensional with different on-site energies and the…

Mesoscale and Nanoscale Physics · Physics 2016-08-31 S. Lakshmi , Swapan K. Pati

Chemically reacting flows are common in engineering, such as hypersonic flow, combustion, explosions, manufacturing processes and environmental assessments. For combustion, the number of reactions can be significant (over 100) and due to…

Machine Learning · Computer Science 2021-04-06 Thomas S. Brown , Harbir Antil , Rainald Löhner , Fumiya Togashi , Deepanshu Verma

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…

Autocatalytic chemical networks play a predominant role in a large number of natural systems such as in metabolic pathways and in ecological networks. Despite recent efforts, the precise impact of thermodynamic constraints on these networks…

Chemical Physics · Physics 2024-06-14 Armand Despons , Yannick de Decker , David Lacoste

Similarly to gear systems in vehicles, most chemical reaction networks (CRNs) involved in energy transduction have at their disposal multiple transduction pathways, each characterized by distinct efficiencies. We conceptualize these…

Molecular Networks · Quantitative Biology 2025-07-24 Massimo Bilancioni , Massimiliano Esposito

We show that if a chemical reaction network (CRN) admits nondegenerate (resp., linearly stable) oscillation, and we add new reversible reactions involving new species to this CRN, then the new CRN so created also admits nondegenerate…

Dynamical Systems · Mathematics 2021-06-14 Murad Banaji

We propose a direct optimization framework for learning reduced and sparse chemical reaction networks (CRNs) from time-series trajectory data. In contrast to widely used indirect methods-such as those based on sparse identification of…

Molecular Networks · Quantitative Biology 2025-08-27 Maurice Filo , Mustafa Khammash

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

We describe a large class of chemical reaction networks, those endowed with a subtle structural property called concordance. We show that the class of concordant networks coincides precisely with the class of networks which, when taken with…

Molecular Networks · Quantitative Biology 2011-09-15 Guy Shinar , Martin Feinberg

Under suitable assumptions, the dynamic behaviour of a chemical reaction network is governed by an autonomous set of polynomial ordinary differential equations over continuous variables representing the concentrations of the reactant…

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

Reaction networks are commonly used to model the evolution of populations of species subject to transformations following an imposed stoichiometry. This paper focuses on the efficient characterisation of dynamical properties of Discrete…

Discrete Mathematics · Computer Science 2013-07-15 Loïc Paulevé , Gheorghe Craciun , Heinz Koeppl