Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Adaptive Genetic Algorithm for Crystal Structure Prediction   We present a genetic algorithm (GA) for structural search that combines the
speed of structure exploration by classical potentials with the accuracy of
density functional theory (DFT) calculations in an adaptive and iterative way.
This strategy increases the efficiency of the DFT-based GA by several orders of
magnitude. This gain allows considerable increase in size and complexity of
systems that can be studied by first principles. The method's performance is
illustrated by successful structure identifications of complex binary and
ternary inter-metallic compounds with 36 and 54 atoms per cell, respectively.
The discovery of a multi-TPa Mg-silicate phase with unit cell containing up to
56 atoms is also reported. Such phase is likely to be an essential component of
terrestrial exoplanetary mantles.

19
The categories of this paper are: eess
15
The categories of this paper are: nucl-ex
34
The categories of this paper are: chem-ph
14
The categories of this paper are: math-ph
35
The categories of this paper are: mtrl-th
0
The categories of this paper are: hep-ph
11
The categories of this paper are: hep-lat
6
The categories of this paper are: astro-ph
17
The categories of this paper are: q-fin
5
The categories of this paper are: gr-qc
20
The categories of this paper are: acc-phys
31
The categories of this paper are: ao-sci
36
The categories of this paper are: cmp-lg
24
The categories of this paper are: dg-ga
10
The categories of this paper are: q-bio
30
The categories of this paper are: q-alg