Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
[PDF][PDF] Recent progress in numerical methods for the Poisson-Boltzmann equation in biophysical applications
Efficiency and accuracy are two major concerns in numerical solutions of the Poisson-
Boltzmann equation for applications in chemistry and biophysics. Recent developments in …
Boltzmann equation for applications in chemistry and biophysics. Recent developments in …
[KNIHA][B] The immersed interface method: numerical solutions of PDEs involving interfaces and irregular domains
Interface problems arise in many applications. For example, when there are two different
materials, such as water and oil, or the same material but at different states, such as water …
materials, such as water and oil, or the same material but at different states, such as water …
Partially penalized immersed finite element methods for elliptic interface problems
This article presents new immersed finite element (IFE) methods for solving the popular
second order elliptic interface problems on structured Cartesian meshes even if the involved …
second order elliptic interface problems on structured Cartesian meshes even if the involved …
A local directional ghost cell approach for incompressible viscous flow problems with irregular boundaries
PA Berthelsen, OM Faltinsen - Journal of computational physics, 2008 - Elsevier
An immersed boundary method for the incompressible Navier–Stokes equations in irregular
domains is developed using a local ghost cell approach. This method extends the solution …
domains is developed using a local ghost cell approach. This method extends the solution …
An interface-fitted mesh generator and virtual element methods for elliptic interface problems
A simple and efficient interface-fitted mesh generation algorithm which can produce a semi-
structured interface-fitted mesh in two and three dimensions quickly is developed in this …
structured interface-fitted mesh in two and three dimensions quickly is developed in this …
A new multiscale finite element method for high-contrast elliptic interface problems
We introduce a new multiscale finite element method which is able to accurately capture
solutions of elliptic interface problems with high contrast coefficients by using only coarse …
solutions of elliptic interface problems with high contrast coefficients by using only coarse …
A new weak Galerkin finite element method for elliptic interface problems
A new weak Galerkin (WG) finite element method is introduced and analyzed in this paper
for solving second order elliptic equations with discontinuous coefficients and interfaces …
for solving second order elliptic equations with discontinuous coefficients and interfaces …
Poisson–boltzmann–nernst–planck model
Q Zheng, GW Wei - The Journal of chemical physics, 2011 - pubs.aip.org
The Poisson–Nernst–Planck (PNP) model is based on a mean-field approximation of ion
interactions and continuum descriptions of concentration and electrostatic potential. It …
interactions and continuum descriptions of concentration and electrostatic potential. It …
Immersed finite element methods for elliptic interface problems with non-homogeneous jump conditions
This paper is to develop immersed finite element (IFE) functions for solving second order
elliptic boundary value problems with discontinuous coefficients and non-homogeneous …
elliptic boundary value problems with discontinuous coefficients and non-homogeneous …