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The selection of an equilibrium state by maximising the entropy of a system, subject to certain constraints, is often powerfully motivated as an exercise in logical inference, a procedure where conclusions are reached on the basis of…

Statistical Mechanics · Physics 2015-12-03 Ian J. Ford

Relaxation dynamics of complex quantum systems with strong interactions towards the steady state is a fundamental problem in statistical mechanics. The steady state of subsystems weakly interacting with their environment is described by the…

Statistical Mechanics · Physics 2016-06-22 Alexey M. Shakirov , Yulia E. Shchadilova , Alexey N. Rubtsov

Superstatistics is an elegant framework for the description of steady-state thermodynamics, mostly used for systems with long-range interactions such as plasmas. In this work, we show that the potential energy distribution of a classical…

Statistical Mechanics · Physics 2025-03-25 Sergio Davis , Claudia Loyola , Carlos Femenías , Joaquín Peralta

Molecular dynamics simulations are widely used across chemistry, physics, and biology, providing quantitative insight into complex processes with atomic detail. However, their limited timescale of a few microseconds is a significant…

Chemical Physics · Physics 2025-04-10 Ofir Blumer , Barak Hirshberg

Networks of model neurons with balanced recurrent excitation and inhibition produce irregular and asynchronous spiking activity. We extend the analysis of balanced networks to include the known dependence of connection probability on the…

Neurons and Cognition · Quantitative Biology 2014-06-02 Robert Rosenbaum , Brent Doiron

In this paper, we provide a graphic formulation of non-isothermal reaction systems and show that a non-isothermal detailed balanced network system converges (locally) asymptotically to the unique equilibrium within the invariant manifold…

Dynamical Systems · Mathematics 2020-10-01 Zhou Fang , Arjan van der Schaft , Chuanhou Gao

The issue of relaxation has been addressed in terms of ergodic theory in the past. However, the application of that theory to models of physical interest is problematic, especially when dealing with relaxation to nonequilibrium steady…

Statistical Mechanics · Physics 2018-12-18 Denis J. Evans , Stephen R. Williams , Debra J. Searles , Lamberto Rondoni

We propose to model the dynamics of metabolic networks from a systems biology point of view by four dynamical structure elements: potential function, transverse matrix, degradation matrix, and stochastic force. These four elements are…

Molecular Networks · Quantitative Biology 2007-05-23 P. Ao

In biochemical systems the Michaelis-Menten (MM) scheme is one of the best-known models of the enzyme- catalyzed kinetics. In the academic literature the MM approximation has been thoroughly studied in the context of differential equation…

Chemical Physics · Physics 2015-01-13 Vahe Galstyan

Using molecular simulations and theory, we develop an explicit mapping of the contribution of molecular relaxation modes in glassy thermosets to the shear modulus, where the relaxations were tuned by altering the polarity of side groups.…

Materials Science · Physics 2019-10-15 Robert M. Elder , Alessio Zaccone , Timothy W. Sirk

The quantitative convergence to equilibrium for reaction-diffusion systems arising from complex balanced chemical reaction networks with mass action kinetics is studied by using the so-called entropy method. In the first part of the paper,…

Analysis of PDEs · Mathematics 2016-11-11 Laurent Desvillettes , Klemens Fellner , Bao Quoc Tang

A simplified thermodynamic approach of the incompressible 2D Euler equation is considered based on the conservation of energy, circulation and microscopic enstrophy. Statistical equilibrium states are obtained by maximizing the…

Fluid Dynamics · Physics 2011-04-12 A. Naso , P. H. Chavanis , B. Dubrulle

We show that discrete distributions on the $d$-dimensional non-negative integer lattice can be approximated arbitrarily well via the marginals of stationary distributions for various classes of stochastic chemical reaction networks. We…

Computational Complexity · Computer Science 2019-10-01 Daniele Cappelletti , Andrés Ortiz-Muñoz , David Anderson , Erik Winfree

Characterizing metastable neural dynamics in finite-size spiking networks remains a daunting challenge. We propose to address this challenge in the recently introduced replica-mean-field (RMF) limit. In this limit, networks are made of…

Neurons and Cognition · Quantitative Biology 2022-10-12 Luyan Yu , Thibaud Taillefumier

In the first part of this paper, we propose new optimization-based methods for the computation of preferred (dense, sparse, reversible, detailed and complex balanced) linearly conjugate reaction network structures with mass action dynamics.…

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

We develop tools from computational algebraic geometry for the study of steady state features of autonomous polynomial dynamical systems via elimination of variables. In particular, we obtain nontrivial bounds for the steady state…

Quantitative Methods · Quantitative Biology 2014-07-14 Mercedes Pérez Millán , Alicia Dickenstein

Chemical reactions inside cells occur in compartment volumes in the range of atto- to femtolitres. Physiological concentrations realized in such small volumes imply low copy numbers of interacting molecules with the consequence of…

Statistical Mechanics · Physics 2011-07-26 Philipp Thomas , Arthur V. Straube , Ramon Grima

We discuss the symbolic dynamics of biochemical networks with separate timescales. We show that symbolic dynamics of monomolecular reaction networks with separated rate constants can be described by deterministic, acyclic automata with a…

Molecular Networks · Quantitative Biology 2015-07-07 Ovidiu Radulescu , Satya Swarup Samal , Aurélien Naldi , Dima Grigoriev , Andreas Weber

In most natural sciences there is currently the insight that it is necessary to bridge gaps between different processes which can be observed on different scales. This is especially true in the field of chemical reactions where the…

Molecular Networks · Quantitative Biology 2008-03-03 L. Sbano , M. Kirkilionis

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
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