Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Isothermal-isobaric molecular dynamics using stochastic velocity
  rescaling   The authors present a new molecular dynamics algorithm for sampling the
isothermal-isobaric ensemble. In this approach the velocities of all particles
and volume degrees of freedom are rescaled by a properly chosen random factor.
The technical aspects concerning the derivation of the integration scheme and
the conservation laws are discussed in detail. The efficiency of the barostat
is examined in Lennard-Jones solid and liquid near the triple point and
compared with the deterministic Nos\'{e}-Hoover and the stochastic Langevin
methods. In particular, the dependence of the sampling efficiency on the choice
of the thermostat and barostat relaxation times is systematically analyzed.

27
The categories of this paper are: comp-gas
28
The categories of this paper are: alg-geom
23
The categories of this paper are: solv-int
31
The categories of this paper are: ao-sci
20
The categories of this paper are: acc-phys
1
The categories of this paper are: cs
24
The categories of this paper are: dg-ga
22
The categories of this paper are: chao-dyn
5
The categories of this paper are: gr-qc
18
The categories of this paper are: econ
11
The categories of this paper are: hep-lat
26
The categories of this paper are: bayes-an
9
The categories of this paper are: nlin
14
The categories of this paper are: math-ph
16
The categories of this paper are: stat
35
The categories of this paper are: mtrl-th