Results 41 to 50 of about 17,173,168 (192)
Modeling Chemical Reaction Networks Using Neural Ordinary Differential Equations [PDF]
Journal of Chemical Information and ModelingIn chemical reaction network theory, ordinary differential equations are used to model the temporal change of chemical species concentration. As the functional form of these ordinary differential equations systems is derived from an empirical model of the reaction network, it may be incomplete.
Anna C. M. Thöni +4 more
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Missing links as a source of seemingly variable constants in complex reaction networks
Physical Review Research, 2020 A major challenge in network science is to determine parameters governing complex network dynamics from experimental observations and theoretical models.
Zachary G. Nicolaou, Adilson E. Motter
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A millifluidic calorimeter with InfraRed thermography for the measurement of chemical reaction enthalpy and kinetics [PDF]
, 2008 The aim of this work is to present an infrared calorimeter for the measurement of the kinetics and the enthalpy of high exothermic chemical reactions. The main idea is to use a millifluidic chip where the channel acts as a chemical reactor.
PRADERE, Christophe +3 more
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Uncertainty quantification for quantum chemical models of complex reaction networks
Faraday Discussions, 2016 For the quantitative understanding of complex chemical reaction mechanisms, it is, in general, necessary to accurately determine the corresponding free energy surface and to solve the resulting continuous-time reaction rate equations for a continuous state space.
Proppe, Jonny +3 more
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PREDICTION OF REACTION CONDITIONS BY DEEP LEARNING TECHNIQUES [PDF]
Научно-технический вестник информационных технологий, механики и оптики, 2020 Subject of Research. The paper presents a study of prediction method for various properties of reactions, such as the type of reaction, suitable groups of solvents, catalysts for the reaction.
Vladimir B. Moskalev, Evgeniy O. Putin
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Piecewise linear models of chemical reaction networks
, 2012 We show that certain non-linear dynamical systems with non-linearities in the form of Hill functions, can be approximated by piecewise linear dynamical systems. The resulting piecewise systems have closed form solutions that can be used to understand the behavior of the fully nonlinear system.
Kumar, Ajit, Josić, Krešimir
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, 2022 Matlab code which calculates the time evolution of all components of a carbodiimide-driven reaction ...
Fabian
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Identification of Dynamical Models of Spatio-temporal Pattern Formation with Applications to Slime Mould [PDF]
, 2011 Spatio-temporal systems are non-linear dynamical systems which include both time and space information. Many natural phenomena and processes can be described by spatio-temporal models, such as pattern formation, chemical reactions and physical dynamics ...
Wang, Shu
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Efficient multi-fidelity computation of blood coagulation under flow.
PLoS Computational Biology, 2023 Clot formation is a crucial process that prevents bleeding, but can lead to severe disorders when imbalanced. This process is regulated by the coagulation cascade, a biochemical network that controls the enzyme thrombin, which converts soluble fibrinogen
Manuel Guerrero-Hurtado +8 more
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The modelling and synthesis of chemical reaction networks
, 2020 Biochemical systems have been influenced, altered, and engineered to produce a myriad of complex behaviours that have far reaching consequences in the realization of computational models and in applications such as pharmaceuticals and cell networks.
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