Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Scaling up the lattice dynamics of amorphous materials by orders of
  magnitude   We generalise the non-affine theory of viscoelasticity for use with large,
well-sampled systems of arbitrary chemical complexity. Having in mind
predictions of mechanical and vibrational properties of amorphous systems with
atomistic resolution, we propose an extension of the Kernel Polynomial Method
(KPM) for the computation of the vibrational density of states (VDOS) and the
eigenmodes, including the $\Gamma$-correlator of the affine force-field, which
is a key ingredient of lattice-dynamic calculations of viscoelasticity. We show
that the results converge well to the solution obtained by direct
diagonalization (DD) of the Hessian (dynamical) matrix. As is well known, the
DD approach has prohibitively high computational requirements for systems with
$N=10^4$ atoms or larger. Instead, the KPM approach developed here allows one
to scale up lattice dynamic calculations of real materials up to $10^6$ atoms,
with a hugely more favorable (linear) scaling of computation time and memory
consumption with $N$.

13
The categories of this paper are: quant-ph
21
The categories of this paper are: adap-org
24
The categories of this paper are: dg-ga
9
The categories of this paper are: nlin
1
The categories of this paper are: cs
25
The categories of this paper are: patt-sol
10
The categories of this paper are: q-bio
17
The categories of this paper are: q-fin
29
The categories of this paper are: funct-an
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The categories of this paper are: math-ph
16
The categories of this paper are: stat
11
The categories of this paper are: hep-lat
37
The categories of this paper are: supr-con
19
The categories of this paper are: eess
12
The categories of this paper are: nucl-th
27
The categories of this paper are: comp-gas