Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Inverse Design for Self Assembly via On-the-Fly Optimization   Inverse methods of statistical mechanics have facilitated the discovery of
pair potentials that stabilize a wide variety of targeted lattices at zero
temperature. However, such methods are complicated by the need to compare,
within the optimization framework, the energy of the desired lattice to all
possibly relevant competing structures, which are not generally known in
advance. Furthermore, ground-state stability does not guarantee that the target
will readily assemble from the fluid upon cooling from higher temperature.
Here, we introduce a molecular dynamics simulation-based, optimization design
strategy that iteratively and systematically refines the pair interaction
according to the fluid and crystalline structural ensembles encountered during
the assembly process. We successfully apply this probabilistic,
machine-learning approach to the design of repulsive, isotropic pair potentials
that assemble into honeycomb, kagome, square, rectangular, truncated square and
truncated hexagonal lattices.

15
The categories of this paper are: nucl-ex
25
The categories of this paper are: patt-sol
26
The categories of this paper are: bayes-an
14
The categories of this paper are: math-ph
30
The categories of this paper are: q-alg
6
The categories of this paper are: astro-ph
21
The categories of this paper are: adap-org
10
The categories of this paper are: q-bio
16
The categories of this paper are: stat
7
The categories of this paper are: hep-th
8
The categories of this paper are: hep-ex
22
The categories of this paper are: chao-dyn
12
The categories of this paper are: nucl-th
36
The categories of this paper are: cmp-lg
29
The categories of this paper are: funct-an
1
The categories of this paper are: cs