Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Ab initio quality study of the graphite-diamond phase coexistence   An interatomic potential for the diamond and graphite phases of carbon has
been created using a neural-network (NN) representation of the ab initio
potential energy surface. The NN potential combines the accuracy of a
first-principle description of both phases with the efficiency of empirical
force fields and allows one to perform, for the first time, a molecular
dynamics study, of ab initio quality, of the thermodynamics of graphite-diamond
coexistence. Good agreement between the experimental and calculated coexistence
curves is achieved if nuclear quantum effects are included in the simulation.

3
The categories of this paper are: physics
20
The categories of this paper are: acc-phys
31
The categories of this paper are: ao-sci
1
The categories of this paper are: cs
12
The categories of this paper are: nucl-th
13
The categories of this paper are: quant-ph
9
The categories of this paper are: nlin
22
The categories of this paper are: chao-dyn
0
The categories of this paper are: hep-ph
35
The categories of this paper are: mtrl-th
33
The categories of this paper are: plasm-ph
6
The categories of this paper are: astro-ph
21
The categories of this paper are: adap-org
14
The categories of this paper are: math-ph
34
The categories of this paper are: chem-ph
30
The categories of this paper are: q-alg