Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Dynamic Implicit-Solvent Coarse-Grained Models of Lipid Bilayer
  Membranes : Fluctuating Hydrodynamics Thermostat   Many coarse-grained models have been developed for equilibrium studies of
lipid bilayer membranes. To achieve in simulations access to length-scales and
time-scales difficult to attain in fully atomistic molecular dynamics, these
coarse-grained models provide a reduced description of the molecular degrees of
freedom and often remove entirely representation of the solvent degrees of
freedom. In such implicit-solvent models the solvent contributions are treated
through effective interaction terms within an effective potential for the free
energy. For investigations of kinetics, Langevin dynamics is often used.
However, for many dynamical processes within bilayers this approach is
insufficient since it neglects important correlations and dynamical
contributions that are missing as a result of the momentum transfer that would
have occurred through the solvent. To address this issue, we introduce a new
thermostat based on fluctuating hydrodynamics for dynamic simulations of
implicit-solvent coarse-grained models. Our approach couples the coarse-grained
degrees of freedom to a stochastic continuum field that accounts for both the
solvent hydrodynamics and thermal fluctuations. We show our approach captures
important correlations in the dynamics of lipid bilayers that are missing in
simulations performed using conventional Langevin dynamics. For both planar
bilayer sheets and bilayer vesicles, we investigate the diffusivity of lipids,
spatial correlations, and lipid flow within the bilayer. The presented
fluctuating hydrodynamics approaches provide a promising way to extend
implicit-solvent coarse-grained lipid models for use in studies of dynamical
processes within bilayers.

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The categories of this paper are: math-ph
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The categories of this paper are: q-alg
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The categories of this paper are: math
22
The categories of this paper are: chao-dyn
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The categories of this paper are: mtrl-th
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The categories of this paper are: nucl-th
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The categories of this paper are: plasm-ph
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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: acc-phys
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The categories of this paper are: hep-lat
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The categories of this paper are: quant-ph
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The categories of this paper are: adap-org
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The categories of this paper are: econ
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The categories of this paper are: solv-int
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The categories of this paper are: hep-ex