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Nonequilibrium thermodynamics (NET) investigates processes in systems out of global equilibrium. On a mesoscopic level, it provides a statistical dynamic description of various complex phenomena such as chemical reactions, ion transport,…

Statistical Mechanics · Physics 2016-04-20 Hong Qian , Signe Kjelstrup , Anatoly B. Kolomeisky , Dick Bedeaux

For chemical reaction networks described by a master equation, we define energy and entropy on a stochastic trajectory and develop a consistent nonequilibrium thermodynamic description along a single stochastic trajectory of reaction…

Statistical Mechanics · Physics 2009-11-11 Tim Schmiedl , Udo Seifert

Chemical processes in closed systems are poorly controllable since they always relax to equilibrium. Living systems avoid this fate and give rise to a much richer diversity of phenomena by operating under nonequilibrium conditions. Recent…

Chemical Physics · Physics 2019-09-11 Emanuele Penocchio , Riccardo Rao , Massimiliano Esposito

The promise of chemical computation lies in controlling systems incompatible with traditional electronic micro-controllers, with applications in synthetic biology and nano-scale manufacturing. Computation is typically embedded in…

Emerging Technologies · Computer Science 2019-02-11 Keenan Breik , Chris Thachuk , Marijn Heule , David Soloveichik

In many astrophysical applications, the cost of solving a chemical network represented by a system of ordinary differential equations (ODEs) grows significantly with the size of the network, and can often represent a significant…

Instrumentation and Methods for Astrophysics · Physics 2022-12-21 T. Grassi , F. Nauman , J. P. Ramsey , S. Bovino , G. Picogna , B. Ercolano

Biological systems have to build models from their sensory data that allow them to efficiently process previously unseen inputs. Here, we study a neural network learning a linearly separable rule using examples provided by a teacher. We…

Statistical Mechanics · Physics 2017-11-22 Sebastian Goldt , Udo Seifert

Background: Stochastic biochemical reaction networks are commonly modelled by the chemical master equation, and can be simulated as first order linear differential equations through a finite state projection. Due to the very high state…

Quantitative Methods · Quantitative Biology 2012-07-10 Steffen Waldherr , Bernard Haasdonk

Dense Associative Memory networks (DenseAMs) unify several popular paradigms in Artificial Intelligence (AI), such as Hopfield Networks, transformers, and diffusion models, while casting their computational properties into the language of…

Statistical Mechanics · Physics 2026-04-07 Spencer Rooke , Dmitry Krotov , Vijay Balasubramanian , David Wolpert

In this and a companion paper we outline a general framework for the thermodynamic description of open chemical reaction networks, with special regard to metabolic networks regulating cellular physiology and biochemical functions. We first…

Chemical Physics · Physics 2014-10-22 Matteo Polettini , Massimiliano Esposito

An information theoretic approach inspired by quantum statistical mechanics was recently proposed as a means to optimize network models and to assess their likelihood against synthetic and real-world networks. Importantly, this method does…

Statistical Mechanics · Physics 2018-09-12 Carlo Nicolini , Vladimir Vlasov , Angelo Bifone

Can a micron sized sack of interacting molecules autonomously learn an internal model of a complex and fluctuating environment? We draw insights from control theory, machine learning theory, chemical reaction network theory, and statistical…

Molecular Networks · Quantitative Biology 2023-11-08 William Poole , Thomas E. Ouldridge , Manoj Gopalkrishnan

We develop a thermodynamic framework for closed and open chemical networks applicable to non-elementary reactions that do not need to obey mass action kinetics. It only requires the knowledge of the kinetics and of the standard chemical…

Statistical Mechanics · Physics 2020-09-16 Francesco Avanzini , Gianmaria Falasco , Massimiliano Esposito

Well-mixed chemical reaction networks (CRNs) contain many distinct chemical species with copy numbers that fluctuate in correlated ways. While those correlations are typically monitored via Monte Carlo sampling of stochastic trajectories,…

Statistical Mechanics · Physics 2026-01-14 John P. Zima , Schuyler B. Nicholson , Todd R. Gingrich

The analysis of non-equilibrium steady states of biochemical reaction networks relies on finding the configurations of fluxes and chemical potentials satisfying stoichiometric (mass balance) and thermodynamic (energy balance) constraints.…

Molecular Networks · Quantitative Biology 2011-07-13 Daniele De Martino , Matteo Figliuzzi , Andrea De Martino , Enzo Marinari

Stochastic thermodynamics as reviewed here systematically provides a framework for extending the notions of classical thermodynamics like work, heat and entropy production to the level of individual trajectories of well-defined…

Statistical Mechanics · Physics 2015-06-05 Udo Seifert

A stochastic model for a chemical reaction network is embedded in a one-parameter family of models with species numbers and rate constants scaled by powers of the parameter. A systematic approach is developed for determining appropriate…

Probability · Mathematics 2010-11-09 Hye-Won Kang , Thomas G. Kurtz

The complex nonlinear behaviors of heavily multimode lightwave structures have been recently the focus of considerable attention. Here we develop an optical thermodynamic approach capable of describing the thermalization dynamics in large…

A method for integrating the chemical equations associated with nuclear combustion at high temperature is presented and extensively checked. Following the idea of E. M\"uller, the feedback between nuclear rates and temperature was taken…

Astrophysics · Physics 2007-05-23 Ruben M. Cabezon Gomez , Domingo Garcia-Senz , Eduardo Bravo

The stochastic description of chemical reaction networks with the kinetic chemical master equation (CME) is important for studying biological cells, but it suffers from the curse of dimensionality: The amount of data to be stored grows…

Numerical Analysis · Mathematics 2024-08-02 Lukas Einkemmer , Julian Mangott , Martina Prugger

In analogy to Brownian computers we explicitly show how to construct stochastic models, which mimic the behaviour of a general purpose computer (a Turing machine). Our models are discrete state systems obeying a Markovian master equation,…

Statistical Mechanics · Physics 2015-10-13 Philipp Strasberg , Javier Cerrillo , Gernot Schaller , Tobias Brandes
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