Literature DB >> 21230822

Efficient solutions of self-consistent mean field equations for dewetting and electrostatics in nonuniform liquids.

Zhonghan Hu1, John D Weeks.   

Abstract

We use a new configuration-based version of linear response theory to efficiently solve self-consistent mean field equations relating an effective single particle potential to the induced density. The versatility and accuracy of the method is illustrated by applications to dewetting of a hard sphere solute in a Lennard-Jones fluid, the interplay between local hydrogen bond structure and electrostatics for water confined between two hydrophobic walls, and to ion pairing in ionic solutions. Simulation time has been reduced by more than an order of magnitude over previous methods.

Entities:  

Year:  2010        PMID: 21230822     DOI: 10.1103/PhysRevLett.105.140602

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  2 in total

1.  Long-ranged contributions to solvation free energies from theory and short-ranged models.

Authors:  Richard C Remsing; Shule Liu; John D Weeks
Journal:  Proc Natl Acad Sci U S A       Date:  2016-02-29       Impact factor: 11.205

2.  Dielectric response with short-ranged electrostatics.

Authors:  Stephen J Cox
Journal:  Proc Natl Acad Sci U S A       Date:  2020-08-03       Impact factor: 11.205

  2 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.