A macroscopically consistent reactive Langevin dynamics model

DOI10.1137/25M1728594MaRDI QIDQ6846743zbMATH OpenFDO

Authors Samuel A. Isaacson, Qianhan Liu, Konstantinos Spiliopoulos, Chen Yao

Publication date 11 March 2026

Published in SIAM Journal on Applied Mathematics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1137/25M1728594

zbMATH Keywords

Brownian dynamicsLangevin dynamicsoverdamped limitparticle-based stochastic reaction-diffusion

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Biophysics (92C05) Kinetics in biochemical problems (pharmacokinetics, enzyme kinetics, etc.) (92C45) Dynamic continuum models (systems of particles, etc.) in time-dependent statistical mechanics (82C21)

Cites work

• An unstructured mesh convergent reaction-diffusion master equation for reversible reactions
• Analysis of Brownian dynamics simulations of reversible bimolecular reactions
• Coarse-graining molecular dynamics: stochastic models with non-Gaussian force distributions
• Coupling all-atom molecular dynamics simulations of ions in water with Brownian dynamics
• Mean field limits of particle-based stochastic reaction-diffusion models
• On the Poisson equation and diffusion approximation. I
• Periodic homogenization for inertial particles
• Reactive boundary conditions as limits of interaction potentials for Brownian and Langevin dynamics
• Reversible Doi and Smoluchowski kinetics for high-order reactions
• Stochastic approximations of higher-molecular by bi-molecular reactions

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