Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Chemical Potential Calculations In Dense Liquids Using Metadynamics   The calculation of chemical potential has traditionally been a challenge in
atomistic simulations. One of the most used approaches is Widom's insertion
method in which the chemical potential is calculated by periodically attempting
to insert an extra particle in the system. In dense systems this method fails
since the insertion probability is very low. In this paper we show that in a
homogeneous fluid the insertion probability can be increased using
metadynamics. We test our method on a supercooled high density binary
Lennard-Jones fluid. We find that we can obtain efficiently converged results
even when Widom's method fails.

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The categories of this paper are: quant-ph
0
The categories of this paper are: hep-ph
32
The categories of this paper are: atom-ph
20
The categories of this paper are: acc-phys
34
The categories of this paper are: chem-ph
33
The categories of this paper are: plasm-ph
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The categories of this paper are: econ
27
The categories of this paper are: comp-gas
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The categories of this paper are: eess
35
The categories of this paper are: mtrl-th
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The categories of this paper are: math-ph
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The categories of this paper are: hep-lat
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The categories of this paper are: hep-th
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The categories of this paper are: nucl-th
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The categories of this paper are: cmp-lg
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The categories of this paper are: q-fin