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- ItemModeling of Chemical Reaction Systems with Detailed Balance Using Gradient Structures(New York, NY [u.a.] : Springer Science + Business Media B.V., 2020) Maas, Jan; Mielke, AlexanderWe 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.
- ItemFrom large deviations to Wasserstein gradient flows in multiple dimensions(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2015) Erbar, Matthias; Maas, Jan; Renger, D.R. MichielWe study the large deviation rate functional for the empirical measure of independent Brownian particles with drift. In one dimension, it has been shown by Adams, Dirr, Peletier and Zimmer [ADPZ11] that this functional is asymptotically equivalent (in the sense of -convergence) to the JordanKinderlehrerOtto functional arising in the Wasserstein gradient flow structure of the FokkerPlanck equation. In higher dimensions, part of this statement (the lower bound) has been recently proved by Duong, Laschos and Renger, but the upper bound remained open, since the proof in [DLR13] relies on regularity properties of optimal transport maps that are restricted to one dimension. In this note we present a new proof of the upper bound, thereby generalising the result of [ADPZ11] to arbitrary dimensions.
- ItemModeling of chemical reaction systems with detailed balance using gradient structures(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Maas, Jan; Mielke, AlexanderWe 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.