Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Molecular potentials for 2D molybdenum disulphide: transferability and
  performance   An ability of different molecular potentials to reproduce the properties of
2D molybdenum disulphide polymorphs is examined. Structural and mechanical
properties, as well as phonon dispersion of the 2H, 1T and 1T' single-layer
MoS2 (SL MoS2) phases, were obtained using density functional theory (DFT) and
molecular statics calculations (MS) with Stillinger-Weber, REBO, SNAP, and
ReaxFF potentials. Quantitative systematic comparison and discussion of the
results obtained are reported.

16
The categories of this paper are: stat
0
The categories of this paper are: hep-ph
12
The categories of this paper are: nucl-th
14
The categories of this paper are: math-ph
33
The categories of this paper are: plasm-ph
31
The categories of this paper are: ao-sci
20
The categories of this paper are: acc-phys
29
The categories of this paper are: funct-an
32
The categories of this paper are: atom-ph
1
The categories of this paper are: cs
24
The categories of this paper are: dg-ga
2
The categories of this paper are: math
5
The categories of this paper are: gr-qc
28
The categories of this paper are: alg-geom
23
The categories of this paper are: solv-int
6
The categories of this paper are: astro-ph