Challenges in simulation of Chemical Reaction Networks
Gabriele Galilei
Challenges in simulation of Chemical Reaction Networks.
Rel. Enrico Bibbona. Politecnico di Torino, Corso di laurea magistrale in Ingegneria Matematica, 2024
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Abstract
The study of deterministic models of Chemical Reaction Networks has been a central topic in Chemical Physics since the 1970s thanks to the work of M. Feinberg, F. Horn, and R. Jackson. The stochastic counterpart was formulated in the same period and investigated mostly through simulations. Stochastic simulation algorithms have been developed, the most known one being the exact simulation method usually associated to the name of Gillespie who made it popular in the field of Chemical Physics. A mathematical theory of stochastic models of Chemical Reaction Networks has been developed more recently, but efficient simulation methods are still needed to address most models that remains intractable with analytical tools.
The interest in studying complicated models and the availability of an increased computer power made it possible to simulate larger examples and it stimulated the development of approximate simulation methods to speed up the computations further
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