Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Simultaneous prediction of atomic structure and stability of
  nanoclusters in a wide area of compositions   We present a universal method for the large-scale prediction of the atomic
structure of clusters. Our algorithm performs the joint evolutionary search for
all clusters in a given area of the compositional space and takes advantage of
structural similarities frequently observed in clusters of close compositions.
The resulting speedup is up to 50 times compared to current methods. This
enables the first-principles studies of multi-component clusters with full
coverage of a wide range of compositions. As an example, we report an
unprecedented first-principles global optimization of 315 SinOm clusters with
n<=15 and m<=20. The obtained map of Si-O cluster stability shows the existence
of both expected (SiO2)n and unexpected (e.g. Si4O18) stable ("magic")
clusters, which can be important for miscellaneous applications.

21
The categories of this paper are: adap-org
33
The categories of this paper are: plasm-ph
20
The categories of this paper are: acc-phys
13
The categories of this paper are: quant-ph
30
The categories of this paper are: q-alg
11
The categories of this paper are: hep-lat
29
The categories of this paper are: funct-an
9
The categories of this paper are: nlin
3
The categories of this paper are: physics
27
The categories of this paper are: comp-gas
35
The categories of this paper are: mtrl-th
37
The categories of this paper are: supr-con
12
The categories of this paper are: nucl-th
28
The categories of this paper are: alg-geom
31
The categories of this paper are: ao-sci
34
The categories of this paper are: chem-ph