Displaying similar documents to “Minimization and Eulerian Formulation of Differential Geormetry Based Nonpolar Multiscale Solvation Models”

Role of Dispersion Attraction in Differential Geometry Based Nonpolar Solvation Models

Zhan Chen (2015)

Molecular Based Mathematical Biology

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Differential geometry (DG) based solvation models have shown their great success in solvation analysis by avoiding the use of ad hoc surface definitions, coupling the polar and nonpolar free energies, and generating solvent-solute boundary in a physically self-consistent fashion. Parameter optimization is a key factor for their accuracy, predictive ability of solvation free energies, and other applications. Recently, a series of efforts have been made to improve the parameterization...

Kinetic BGK model for a crowd: Crowd characterized by a state of equilibrium

Abdelghani El Mousaoui, Pierre Argoul, Mohammed El Rhabi, Abdelilah Hakim (2021)

Applications of Mathematics

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This article focuses on dynamic description of the collective pedestrian motion based on the kinetic model of Bhatnagar-Gross-Krook. The proposed mathematical model is based on a tendency of pedestrians to reach a state of equilibrium within a certain time of relaxation. An approximation of the Maxwellian function representing this equilibrium state is determined. A result of the existence and uniqueness of the discrete velocity model is demonstrated. Thus, the convergence of the solution...

A Suite of Skeleton Models for the MJO with Refined Vertical Structure

Sulian Thual, Andrew J. Majda (2015)

Mathematics of Climate and Weather Forecasting

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The Madden-Julian oscillation (MJO) is the dominant mode of variability in the tropical atmosphere on intraseasonal timescales and planetary spatial scales. The skeleton model is a minimal dynamical model that recovers robustly the most fundamental MJO features of (I) a slow eastward speed of roughly 5 ms−1, (II) a peculiar dispersion relation with dw/dk ≈ 0, and (III) a horizontal quadrupole vortex structure. This model depicts the MJO as a neutrally-stable atmosphericwave that involves...

Mathematical and numerical analysis of a model for anti-angiogenic therapy in metastatic cancers

Sébastien Benzekry (2012)

ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique

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We introduce a phenomenological model for anti-angiogenic therapy in the treatment of metastatic cancers. It is a structured transport equation with a nonlocal boundary condition describing the evolution of the density of metastases that we analyze first at the continuous level. We present the numerical analysis of a lagrangian scheme based on the characteristics whose convergence establishes existence of solutions. Then we prove an error estimate and use the model to perform interesting...

Mathematical and numerical analysis of a model for anti-angiogenic therapy in metastatic cancers

Sébastien Benzekry (2012)

ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique

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We introduce a phenomenological model for anti-angiogenic therapy in the treatment of metastatic cancers. It is a structured transport equation with a nonlocal boundary condition describing the evolution of the density of metastases that we analyze first at the continuous level. We present the numerical analysis of a lagrangian scheme based on the characteristics whose convergence establishes existence of solutions. Then we prove an error estimate and use the model to perform interesting...

Mathematical and numerical analysis of a model for anti-angiogenic therapy in metastatic cancers

Sébastien Benzekry (2011)

ESAIM: Mathematical Modelling and Numerical Analysis

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We introduce a phenomenological model for anti-angiogenic therapy in the treatment of metastatic cancers. It is a structured transport equation with a nonlocal boundary condition describing the evolution of the density of metastases that we analyze first at the continuous level. We present the numerical analysis of a lagrangian scheme based on the characteristics whose convergence establishes existence of solutions. Then we prove an error estimate and use the model to perform interesting...

Comparative Assessment of Nonlocal Continuum Solvent Models Exhibiting Overscreening

Baihua Ren, Jaydeep P. Bardhan (2017)

Molecular Based Mathematical Biology

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Nonlocal continua have been proposed to offer a more realistic model for the electrostatic response of solutions such as the electrolyte solvents prominent in biology and electrochemistry. In this work, we review three nonlocal models based on the Landau-Ginzburg framework which have been proposed but not directly compared previously, due to different expressions of the nonlocal constitutive relationship. To understand the relationships between these models and the underlying physical...