Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Activated sampling in complex materials at finite temperature: the
  properly-obeying-probability activation-relaxation technique   While the dynamics of many complex systems is dominated by activated events,
there are very few simulation methods that take advantage of this fact. Most of
these procedures are restricted to relatively simple systems or, as with the
activation-relaxation technique (ART), sample the conformation space
efficiently at the cost of a correct thermodynamical description. We present
here an extension of ART, the properly-obeying-probability ART (POP-ART), that
obeys detailed balance and samples correctly the thermodynamic ensemble.
Testing POP-ART on two model systems, a vacancy and an interstitial in
crystalline silicon, we show that this method recovers the proper
thermodynamical weights associated with the various accessible states and is
significantly faster than MD in the diffusion of a vacancy below 700 K.

25
The categories of this paper are: patt-sol
12
The categories of this paper are: nucl-th
31
The categories of this paper are: ao-sci
30
The categories of this paper are: q-alg
6
The categories of this paper are: astro-ph
3
The categories of this paper are: physics
9
The categories of this paper are: nlin
16
The categories of this paper are: stat
20
The categories of this paper are: acc-phys
34
The categories of this paper are: chem-ph
23
The categories of this paper are: solv-int
0
The categories of this paper are: hep-ph
35
The categories of this paper are: mtrl-th
28
The categories of this paper are: alg-geom
8
The categories of this paper are: hep-ex
18
The categories of this paper are: econ