Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: A Hybrid Solver of Size Modified Poisson-Boltzmann Equation by Domain
  Decomposition, Finite Element, and Finite Difference   The size-modified Poisson-Boltzmann equation (SMPBE) is one important variant
of the popular dielectric model, the Poisson-Boltzmann equation (PBE), to
reflect ionic size effects in the prediction of electrostatics for a
biomolecule in an ionic solvent. In this paper, a new SMPBE hybrid solver is
developed using a solution decomposition, the Schwartz's overlapped domain
decomposition, finite element, and finite difference. It is then programmed as
a software package in C, Fortran, and Python based on the state-of-the-art
finite element library DOLFIN from the FEniCS project. This software package is
well validated on a Born ball model with analytical solution and a dipole model
with a known physical properties. Numerical results on six proteins with
different net charges demonstrate its high performance. Finally, this new SMPBE
hybrid solver is shown to be numerically stable and convergent in the
calculation of electrostatic solvation free energy for 216 biomolecules and
binding free energy for a DNA-drug complex.

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The categories of this paper are: nucl-th
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The categories of this paper are: funct-an
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The categories of this paper are: eess
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The categories of this paper are: alg-geom
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The categories of this paper are: q-alg
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The categories of this paper are: bayes-an
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The categories of this paper are: hep-ph
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The categories of this paper are: math-ph
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The categories of this paper are: hep-ex
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The categories of this paper are: atom-ph
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The categories of this paper are: gr-qc
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The categories of this paper are: stat
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The categories of this paper are: solv-int
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The categories of this paper are: comp-gas
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The categories of this paper are: cmp-lg
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The categories of this paper are: plasm-ph