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    Modeling of chemical reaction systems with detailed balance using gradient structures
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Maas, Jan; Mielke, Alexander
    We consider various modeling levels for spatially homogeneous chemical reaction systems, namely the chemical master equation, the chemical Langevin dynamics, and the reaction-rate equation. Throughout we restrict our study to the case where the microscopic system satisfies the detailed-balance condition. The latter allows us to enrich the systems with a gradient structure, i.e. the evolution is given by a gradient-flow equation. We present the arising links between the associated gradient structures that are driven by the relative entropy of the detailed-balance steady state. The limit of large volumes is studied in the sense of evolutionary Γ-convergence of gradient flows. Moreover, we use the gradient structures to derive hybrid models for coupling different modeling levels.
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    On gradient structures for Markov chains and the passage to Wasserstein gradient flows
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2013) Disser, Karoline; Liero, Matthias
    We study the approximation of Wasserstein gradient structures by their finite-dimensional analog. We show that simple finite-volume discretizations of the linear Fokker-Planck equation exhibit the recently established entropic gradient-flow structure for reversible Markov chains. Then we reprove the convergence of the discrete scheme in the limit of vanishing mesh size using only the involved gradient-flow structures. In particular, we make no use of the linearity of the equations nor of the fact that the Fokker-Planck equation is of second order.
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    Gradient structures and geodesic convexity for reaction-diffusion systems
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2012) Liero, Matthias; Mielke, Alexander
    We consider systems of reaction-diffusion equations as gradient systems with respect to an entropy functional and a dissipation metric given in terms of a so-called Onsager operator, which is a sum of a diffusion part of Wasserstein type and a reaction part. We provide methods for establishing geodesic lambda-convexity of the entropy functional by purely differential methods, thus circumventing arguments from mass transportation. Finally, several examples, including a drift-diffusion system, provide a survey on the applicability of the theory. We consider systems of reaction-diffusion equations as gradient systems with respect to an entropy functional and a dissipation metric given in terms of a so-called Onsager operator, which is a sum of a diffusion part of Wasserstein type and a reaction part. We provide methods for establishing geodesic lambda-convexity of the entropy functional by purely differential methods, thus circumventing arguments from mass transportation. Finally, several examples, including a drift-diffusion system, provide a survey on the applicability of the theory.