Results 51 to 60 of about 136,245 (330)
The use of neural networks for fitting complex kinetic data [PDF]
, 1996 Congrès ESCAPE-3: European Symposium on Computer Aided Process Engineering n.3, Graz , Autriche, 1993In this paper the use of neural networks for fitting complex kinetic data is discussed.
Zaldívar, J.M. +3 more
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Modeling and simulating chemical reactions [PDF]
, 2008 Many students are familiar with the idea of modeling chemical reactions in terms of ordinary differential equations. However, these deterministic reaction rate equations are really a certain large-scale limit of a sequence of finer-scale probabilistic ...
Higham, Desmond J., Higham, D.J.
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Dissipation-driven selection of states in non-equilibrium chemical networks
Communications Chemistry, 2021 Recent works have highlighted the role of energy sources in driving nonequilibrium behaviours in chemical reaction networks. Here, the authors theoretically describe linear reaction networks with thermal gradients to highlight the basic rules governing ...
Daniel Maria Busiello +3 more
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Reduction of chemical reaction networks through delay distributions [PDF]
, 2013 Accurate modelling and simulation of dynamic cellular events require two main ingredients: an adequate description of key chemical reactions and simulation of such chemical events in reasonable time spans.
Barrio Solórzano, Manuel +5 more
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Deficiency, kinetic invertibility, and catalysis in stochastic chemical reaction networks
, 2023 Stochastic chemical processes are described by the chemical master equation satisfying the law of mass-action. We first ask whether the dual master equation, which has the same steady state as the chemical master equation, but with inverted reaction ...
Avanzini F. +3 more
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Computing with chemical reaction networks: a tutorial [PDF]
Natural Computing, 2019 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 discuss a method to implement arbitrary (abstract) CRNs in a test tube using DNA.
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A network dynamics approach to chemical reaction networks [PDF]
International Journal of Control, 2015 A crisp survey is given of chemical reaction networks from the perspective of general nonlinear network dynamics, in particular of consensus dynamics. It is shown how by starting from the complex-balanced assumption the reaction dynamics governed by mass action kinetics can be rewritten into a form which allows for a very simple derivation of a number ...
A. J. van der Schaft +2 more
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Multilevel Monte Carlo for continuous time Markov chains, with applications in biochemical kinetics [PDF]
, 2012 We show how to extend a recently proposed multi-level Monte Carlo approach to the continuous time Markov chain setting, thereby greatly lowering the computational complexity needed to compute expected values of functions of the state of the system to a ...
Anderson, David +3 more
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, 2022 The estimation of chemical reaction properties such as activation energies, rates, or yields is a central topic of computational chemistry. In contrast to molecular properties, where machine learning approaches such as graph convolutional neural networks
Green, William H. +2 more
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, 2023 This work describes a competing activation network, which is regulated by chemical feedback at the liquid-surface interface. Feedback loops dynamically tune the concentration of chemical components in living systems, thereby controlling regulatory ...
Jurriaan, Huskens +5 more
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