Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Ab initio energetics and kinetics study of H_2 and CH_4 in the SI
  Clathrate Hydrate   We present ab initio results at the density functional theory level for the
energetics and kinetics of H_2 and CH_4 in the SI clathrate hydrate. Our
results complement a recent article by some of the authors [G. Roman-Perez et
al., Phys. Rev. Lett. 105, 145901 (2010)] in that we show additional results of
the energy landscape of H_2 and CH_4 in the various cages of the host material,
as well as further results for energy barriers for all possible diffusion paths
of H_2 and CH_4 through the water framework. We also report structural data of
the low-pressure phase SI and the higher-pressure phases SII and SH.

18
The categories of this paper are: econ
27
The categories of this paper are: comp-gas
0
The categories of this paper are: hep-ph
10
The categories of this paper are: q-bio
5
The categories of this paper are: gr-qc
15
The categories of this paper are: nucl-ex
35
The categories of this paper are: mtrl-th
8
The categories of this paper are: hep-ex
14
The categories of this paper are: math-ph
26
The categories of this paper are: bayes-an
33
The categories of this paper are: plasm-ph
23
The categories of this paper are: solv-int
9
The categories of this paper are: nlin
3
The categories of this paper are: physics
7
The categories of this paper are: hep-th
12
The categories of this paper are: nucl-th