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We study a stochastic system of $N$ interacting particles which models bimolecular chemical reaction-diffusion. In this model, each particle $i$ carries two attributes: the spatial location $X_t^i\in \mathbb{T}^d$, and the type $\Xi_t^i\in…

偏微分方程分析 · 数学 2020-01-24 Tau Shean Lim , Yulong Lu , James Nolen

The classical models for irreversible diffusion-influenced reactions can be derived by introducing absorbing boundary conditions to over-damped continuous Brownian motion (BM) theory. As there is a clear corresponding stochastic process,…

统计力学 · 物理学 2016-10-13 Mauricio J. Del Razo , Hong Qian

The replication and differentiation of spots in reaction diffusion equations are studied by extending the Gray-Scott model with self-replicating spots to include many degrees of freedom needed to model systems with many chemicals. By…

斑图形成与孤子 · 物理学 2009-11-07 Hiroaki Takagi , Kunihiko Kaneko

To model bio-chemical reaction systems with diffusion one can either use stochastic, microscopic reaction-diffusion master equations or deterministic, macroscopic reaction-diffusion system. The connection between these two models is not…

偏微分方程分析 · 数学 2023-06-21 Malcolm Egan , Bao Quoc Tang

The stochastic thermodynamics of a dilute, well-stirred mixture of chemically-reacting species is built on the stochastic trajectories of reaction events obtained from the Chemical Master Equation. However, when the molecular populations…

统计力学 · 物理学 2017-07-04 Jordan M. Horowitz

A stochastic model for a chemical reaction network is embedded in a one-parameter family of models with species numbers and rate constants scaled by powers of the parameter. A systematic approach is developed for determining appropriate…

概率论 · 数学 2010-11-09 Hye-Won Kang , Thomas G. Kurtz

A reaction network is a chemical system involving multiple reactions and chemical species. Stochastic models of such networks treat the system as a continuous time Markov chain on the number of molecules of each species with reactions as…

概率论 · 数学 2007-05-23 Karen Ball , Thomas G. Kurtz , Lea Popovic , Greg Rempala

The behavior of some stochastic chemical reaction networks is largely unaffected by slight inaccuracies in reaction rates. We formalize the robustness of state probabilities to reaction rate deviations, and describe a formal connection…

计算复杂性 · 计算机科学 2009-01-28 David Soloveichik

The consistency across scales of a recently developed mathematical thermodynamic structure, between a continuous stochastic nonlinear dynamical system (diffusion process with Langevin or Fokker-Planck equations) and its emergent discrete,…

统计力学 · 物理学 2015-10-28 Moises Santillan , Hong Qian

A spatio-temporal evolution of chemicals appearing in a reversible enzyme reaction and modelled by a four component reaction-diffusion system with the reaction terms obtained by the law of mass action is considered. The large time behaviour…

偏微分方程分析 · 数学 2016-10-25 Jan Elias

The master equation describing non-equilibrium one-dimensional problems like diffusion limited reactions can be written as a euclideen Schr\"odinger equation in which the wave function is the probability distribution and the Hamiltonian is…

凝聚态物理 · 物理学 2007-05-23 V. Rittenberg

Many biological systems can be modeled as a chemical reaction network with unknown parameters. Data available to identify these parameters are often in the form of a stationary distribution, such as that obtained from measurements of a cell…

系统与控制 · 电气工程与系统科学 2023-09-14 Theodore W. Grunberg , Domitilla Del Vecchio

We develop numerical methods for reaction-diffusion systems based on the equations of fluctuating hydrodynamics (FHD). While the FHD formulation is formally described by stochastic partial differential equations (SPDEs), it becomes similar…

流体动力学 · 物理学 2018-01-17 Changho Kim , Andy Nonaka , John B. Bell , Alejandro L. Garcia , Aleksandar Donev

A recombination reaction model for high-temperature chemical kinetics is derived from ab initio simulations data. A kinetic recombination rate model is derived using a recently developed ab initio state-specific dissociation model and the…

化学物理 · 物理学 2020-09-15 Narendra Singh , Thomas Schwartzentruber

Open biochemical systems of interacting molecules are ubiquitous in life-related processes. However, established computational methodologies, like molecular dynamics, are still mostly constrained to closed systems and timescales too small…

定量方法 · 定量生物学 2025-10-15 Margarita Kostré , Christof Schütte , Frank Noé , Mauricio J. del Razo

For reaction-diffusion processes without exclusion, in which the particles can exist in the same site of a one-dimensional lattice, we study all the integrable models which can be obtained by imposing a boundary condition on the master…

统计力学 · 物理学 2009-11-11 M. Alimohammadi

In Bhattacharya et al. (Science Advances, 2020), a set of chemical reactions involved in the dynamics of actin waves in cells was studied. Both at the microscopic level, where the individual chemical reactions are directly modelled using…

偏微分方程分析 · 数学 2023-02-01 Christian Hamster , Peter van Heijster

Reaction networks are mathematical models of interacting chemical species that are primarily used in biochemistry. There are two modeling regimes that are typically used, one of which is deterministic and one that is stochastic. In…

分子网络 · 定量生物学 2018-09-14 David Anderson , Daniele Cappelletti

Reaction networks are widely used models to describe biochemical processes. Stochastic fluctuations in the counts of biological macromolecules have amplified consequences due to their small population sizes. This makes it necessary to favor…

概率论 · 数学 2022-02-28 Daniele Cappelletti , Badal Joshi

Chemical reaction networks (CRNs) provide a convenient language for modelling a broad variety of biological systems. These models are commonly studied with respect to the time series they generate in deterministic or stochastic simulations.…

分子网络 · 定量生物学 2019-07-11 Ozan Kahramanoğulları