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The polarizable embedding (PE) model is a fragment-based quantum-classical approach aimed at accurate inclusion of environment effects in quantum-mechanical response property calculations. The aim of this tutorial is to give insight into…

In this article we formulate new models for coupled systems of bulk-surface reaction-diffusion equations on stationary volumes. The bulk reaction-diffusion equations are coupled to the surface reaction-diffusion equations through linear…

Analysis of PDEs · Mathematics 2015-06-23 Anotida Madzvamuse , Andy H. W. Chung , Chandrasekhar Venkataraman

The key of tip growth in eukaryotes is the polarized distribution on plasma membrane of a particle named ROP1. This distribution is the result of a positive feedback loop, whose mechanism can be described by a Differential Equation…

Methodology · Statistics 2016-05-03 Zhen Xiao , Nicolas Brunel , Zhenbiao Yang , Xinping Cui

We consider a coupled bulk-surface system of partial differential equations with nonlinear coupling modelling receptor-ligand dynamics. The model arises as a simplification of a mathematical model for the reaction between cell surface…

Analysis of PDEs · Mathematics 2016-11-08 Charles M. Elliott , Thomas Ranner , Chandrasekhar Venkataraman

Partial differential equations are a convenient way to describe reaction- advection-diffusion processes of signalling models. If only one cell type is present, and tissue dynamics can be neglected, the equations can be solved directly.…

Quantitative Methods · Quantitative Biology 2015-09-29 Simon Tanaka

In this paper we present a high-order kernel method for numerically solving diffusion and reaction-diffusion partial differential equations (PDEs) on smooth, closed surfaces embedded in $\mathbb{R}^d$. For two-dimensional surfaces embedded…

Numerical Analysis · Mathematics 2012-06-04 Edward J. Fuselier , Grady B. Wright

We consider a reaction-diffusion system where some components react and diffuse on the boundary of a region, while other components diffuse in the interior and react with those on the boundary through mass transport. We establish criteria…

Analysis of PDEs · Mathematics 2015-12-31 Vandana Sharma , Jeff Morgan

In this perspective, we discuss where and how accounting for electronic many-body polarization affects the accuracy of classical molecular dynamics simulations of biomolecules.While the effects of electronic polarization are highly…

Chemical Physics · Physics 2021-03-29 Josef Melcr , Jean-Philip Piquemal

This work concerns the exponential stabilization of underactuated linear homogeneous systems of m parabolic partial differential equations (PDEs) in cascade (reaction-diffusion systems), where only the first state is controlled either…

Optimization and Control · Mathematics 2023-10-19 Constantinos Kitsos , Emilia Fridman

We consider a reaction-diffusion system where some components react and diffuse on the boundary of a region, while other components diffuse in the interior and react with those on the boundary through mass transport. We establish local…

Analysis of PDEs · Mathematics 2015-11-20 Vandana Sharma , Jeff Morgan

We derive an expression for the local transverse polarization of a boost-invariant expanding system of massive particles, which involves a set of dynamical spin moments. Starting from spin kinetic theory, we obtain a closed set of equations…

High Energy Physics - Phenomenology · Physics 2023-12-12 Nora Weickgenannt , Jean-Paul Blaizot

We consider a model for the dynamics of active cells interacting with their quiescent counterparts under the influence of acidity characterized by proton concentration. The active cells perform nonlinear diffusion and infer proliferation or…

Analysis of PDEs · Mathematics 2025-11-04 Maria Eckardt , Christina Surulescu

We propose a method of describing a phase transition in a cell fluid model with pair interaction potential that includes repulsive and attractive parts. An exact representation of the grand partition function of this model is obtained in…

Statistical Mechanics · Physics 2017-06-23 M. P. Kozlovskii , O. A. Dobush

We consider the numerical solution of coupled volume-surface reaction-diffusion systems having a detailed balance equilibrium. Based on the conservation of mass, an appropriate quadratic entropy functional is identified and an…

Numerical Analysis · Mathematics 2015-11-04 Herbert Egger , Klemens Fellner , Jan-Frederik Pietschmann , Bao Quoc Tang

Spatial reaction-diffusion models have been employed to describe many emergent phenomena in biological systems. The modelling technique most commonly adopted in the literature implements systems of partial differential equations (PDEs),…

Quantitative Methods · Quantitative Biology 2015-10-05 Christian A. Yates , Mark B. Flegg

We derive the equations that describe adsorption of diffusing particles onto a surface followed by additional surface kinetic steps before being transported across the interface. Multistage surface kinetics occurs during membrane protein…

Soft Condensed Matter · Physics 2007-05-23 Tom Chou , Maria R. D'Orsogna

There are many processes in cell biology that can be modeled in terms of particles diffusing in a two-dimensional (2D) or three-dimensional (3D) bounded domain $\Omega \subset \R^d$ containing a set of small subdomains or interior…

Analysis of PDEs · Mathematics 2024-07-09 Paul C Bressloff

Cellular signaling is essential in information processing and decision making. Therefore, a variety of experimental approaches have been developed to study signaling on bulk and single-cell level. Single-cell measurements of signaling…

Quantitative Methods · Quantitative Biology 2019-04-18 Carolin Loos , Jan Hasenauer

A statistical model is used to determine how stochastic fluctuations in the intensities of orthogonal polarization modes contribute to the modulation and depolarization of pulsar radio emission. General expressions for the distributions of…

High Energy Astrophysical Phenomena · Physics 2023-12-19 M. M. McKinnon

A continuum electromechanical model is proposed to describe the membrane curvature induced by electrostatic interactions in a solvated protein-membrane system. The model couples the macroscopic strain energy of membrane and the…

Quantitative Methods · Quantitative Biology 2015-05-19 Y. C. Zhou , Benzhuo Lu , Alemayehu A. Gorfe
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