Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Anisotropic van der Waals Dispersion Forces in Polymers: Structural
  Symmetry Breaking Leads to Enhanced Conformational Search   The modeling of conformations and dynamics of (bio)polymers is of primary
importance for understanding physicochemical properties of soft matter.
Although short-range interactions such as covalent and hydrogen bonding control
the local arrangement of polymers, non-covalent interactions play a dominant
role in determining the global conformations. Here we focus on how the
inclusion of many-body effects in van der Waals dispersion affects the outcome
of geometry optimizations and molecular dynamics simulations of model polymers.
We find that delocalized force contributions are key to explore the
conformational landscape, as they induce an anisotropic polarization response
which efficiently guides the conformation towards globally optimized
structures. This is in contrast with the commonly used pair-wise approach,
where the atomic polarizabilities lack information on the global geometry. We
show that such local approximation causes the conformational search to be
obstructed by conformations with unphysically limited spatial symmetry, while
the many-body formalism strongly reduces the roughness of the potential energy
landscape.

14
The categories of this paper are: math-ph
1
The categories of this paper are: cs
26
The categories of this paper are: bayes-an
35
The categories of this paper are: mtrl-th
19
The categories of this paper are: eess
0
The categories of this paper are: hep-ph
15
The categories of this paper are: nucl-ex
18
The categories of this paper are: econ
27
The categories of this paper are: comp-gas
33
The categories of this paper are: plasm-ph
10
The categories of this paper are: q-bio
9
The categories of this paper are: nlin
12
The categories of this paper are: nucl-th
17
The categories of this paper are: q-fin
7
The categories of this paper are: hep-th
24
The categories of this paper are: dg-ga