Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Benchmark free energies and entropies for saturated and compressed water   We use molecular simulation to compute the thermodynamic properties of 7
rigid models for water (SPC/E, TIP3P, TIP4P, TIP4P/2005, TIP4P/Ew, TIP5P, OPC)
over a wide range of temperature and pressure. Carrying out Expanded
Wang-Landau simulations, we obtain a high accuracy estimate for the
grand-canonical partition function which, in turn, provides access to all
properties, including the free energy and entropy, both at the vapor-liquid
coexistence and for compressed water. The results at coexistence highlight the
close connection between the behavior of the statistical functions and the
thermodynamic properties. They show that the subgroup
(SPC/E,TIP4P/2005,TIP4P/Ew) provides the most accurate account of the
vapor-liquid equilibrium properties. For compressed water, the comparison of
the simulation results to the experimental data establishes that the TIP4P/Ew
model performs best among the 7 models considered here, and captures the
experimental trends for the dependence of entropy and molar Gibbs free energy
on pressure.

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The categories of this paper are: hep-lat
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The categories of this paper are: q-alg
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The categories of this paper are: q-fin
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The categories of this paper are: stat
31
The categories of this paper are: ao-sci
28
The categories of this paper are: alg-geom
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The categories of this paper are: acc-phys
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The categories of this paper are: patt-sol
10
The categories of this paper are: q-bio
22
The categories of this paper are: chao-dyn
29
The categories of this paper are: funct-an
36
The categories of this paper are: cmp-lg
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The categories of this paper are: cs
37
The categories of this paper are: supr-con
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The categories of this paper are: adap-org
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The categories of this paper are: dg-ga