全部 标题 作者
关键词 摘要

OALib Journal期刊
ISSN: 2333-9721
费用:99美元

查看量下载量

相关文章

更多...
Physics  2015 

Convexity and stiffness in energy functions for electrostatic simulations

Full-Text   Cite this paper   Add to My Lib

Abstract:

We study the properties of convex functionals which have been proposed for the simulation of charged molecular systems within the Poisson-Boltzmann approximation. We consider the extent to which the functionals reproduce the true fluctuations of electrolytes and thus the one-loop correction to mean field theory -- including the Deby-H\"uckel correction to the free energy of ionic solutions. We also compare the functionals for use in numerical optimization of a mean field model of a charged polymer and show that different functionals have very different stiffnesses leading to substantial differences in accuracy and speed.

Full-Text

Contact Us

service@oalib.com

QQ:3279437679

WhatsApp +8615387084133