Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Generalizing The Mean Spherical Approximation as a Multiscale, Nonlinear
  Boundary Condition at the Solute--Solvent Interface   In this paper we extend the familiar continuum electrostatic model with a
perturbation to the usual macroscopic boundary condition. The perturbation is
based on the mean spherical approximation (MSA), to derive a multiscale
hydration-shell boundary condition (HSBC). We show that the HSBC/MSA model
reproduces MSA predictions for Born ions in a variety of polar solvents,
including both protic and aprotic solvents. Importantly, the HSBC/MSA model
predicts not only solvation free energies accurately but also solvation
entropies, which standard continuum electrostatic models fail to predict. The
HSBC/MSA model depends only on the normal electric field at the dielectric
boundary, similar to our recent development of an HSBC model for charge-sign
hydration asymmetry, and the reformulation of the MSA as a boundary condition
enables its straightforward application to complex molecules such as proteins.

17
The categories of this paper are: q-fin
31
The categories of this paper are: ao-sci
9
The categories of this paper are: nlin
29
The categories of this paper are: funct-an
25
The categories of this paper are: patt-sol
23
The categories of this paper are: solv-int
5
The categories of this paper are: gr-qc
7
The categories of this paper are: hep-th
1
The categories of this paper are: cs
32
The categories of this paper are: atom-ph
28
The categories of this paper are: alg-geom
26
The categories of this paper are: bayes-an
30
The categories of this paper are: q-alg
35
The categories of this paper are: mtrl-th
13
The categories of this paper are: quant-ph
24
The categories of this paper are: dg-ga