Ss antman je marsden l. sirovich

JKHPHJ Keener, JKBJMA Mielke, CSPKR Sreenivasan - 2005 - Springer
The main purpose of this chapter is to give a derivation, which is mathematically precise,
physically natural, and conceptually simple, of the quasilinear system of partial differential …

Efficient and accurate simulation of dynamic dielectric objects

K Barros, D Sinkovits, E Luijten - The Journal of chemical physics, 2014 - pubs.aip.org
Electrostatic interactions between dielectric objects are complex and of a many-body nature,
owing to induced surface bound charge. We present a collection of techniques to simulate …

Three-dimensional Brownian dynamics simulator for the study of ion permeation through membrane pores

C Berti, S Furini, D Gillespie, D Boda… - Journal of chemical …, 2014 - ACS Publications
A three-dimensional numerical simulator based on Brownian dynamics (BD) for the study of
ion transport through membrane pores is presented. Published BD implementations suffer …

Numerical solution of boundary-integral equations for molecular electrostatics

JP Bardhan - The Journal of chemical physics, 2009 - pubs.aip.org
Numerous molecular processes, such as ion permeation through channel proteins, are
governed by relatively small changes in energetics. As a result, theoretical investigations of …

Electrostatics and heat conduction in high contrast composite materials

L Greengard, JY Lee - Journal of Computational Physics, 2006 - Elsevier
We present a robust integral equation method for the calculation of the electrostatic and
thermal properties of systems made of piecewise homogeneous, high contrast materials. By …

Discretization of the induced-charge boundary integral equation

JP Bardhan, RS Eisenberg, D Gillespie - Physical Review E—Statistical …, 2009 - APS
Boundary-element methods (BEMs) for solving integral equations numerically have been
used in many fields to compute the induced charges at dielectric boundaries. In this paper …

Comparison of three-dimensional Poisson solution methods for particle-based simulation and inhomogeneous dielectrics

C Berti, D Gillespie, JP Bardhan, RS Eisenberg… - Physical Review E …, 2012 - APS
Particle-based simulation represents a powerful approach to modeling physical systems in
electronics, molecular biology, and chemical physics. Accounting for the interactions …

Interpreting the Coulomb-field approximation for generalized-Born electrostatics using boundary-integral equation theory

JP Bardhan - The Journal of chemical physics, 2008 - pubs.aip.org
The importance of molecular electrostatic interactions in aqueous solution has motivated
extensive research into physical models and numerical methods for their estimation. The …

[HTML][HTML] Accurate and efficient numerical simulation of dielectrically anisotropic particles

H Wu, E Luijten - The Journal of Chemical Physics, 2018 - pubs.aip.org
A variety of electrostatic phenomena, including the structure of electric double layers and the
aggregation of charged colloids and proteins, are affected by nonuniform electric permittivity …

Wavelet formulation of the polarizable continuum model. II. Use of piecewise bilinear boundary elements

M Bugeanu, R Di Remigio, K Mozgawa… - Physical Chemistry …, 2015 - pubs.rsc.org
The simplicity of dielectric continuum models has made them a standard tool in almost any
Quantum Chemistry (QC) package. Despite being intuitive from a physical point of view, the …