Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Predicting reaction coordinates in energy landscapes with diffusion
  anisotropy   We consider a range of model potentials with metastable states undergoing
molecular dynamics coupled to a thermal bath in the high friction regime, and
consider how the optimal reaction coordinate depends on the diffusion
anisotropy. For this we use our recently proposed method 'Spectral gap
optimization of order parameters (SGOOP)' (Tiwary and Berne, Proc. Natl. Acad.
Sci. 113 2839 2016). We show how available information about dynamical
observables in addition to static information can be incorporated into SGOOP,
which can then be used to accurately determine the 'best' reaction coordinate
for arbitrary anisotropies. We compare our results with transmission
coefficient calculations and published benchmarks where applicable or available
respectively.

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The categories of this paper are: math-ph
37
The categories of this paper are: supr-con
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The categories of this paper are: cmp-lg
10
The categories of this paper are: q-bio
34
The categories of this paper are: chem-ph
29
The categories of this paper are: funct-an
5
The categories of this paper are: gr-qc
1
The categories of this paper are: cs
2
The categories of this paper are: math
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The categories of this paper are: chao-dyn
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The categories of this paper are: solv-int
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The categories of this paper are: alg-geom
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The categories of this paper are: eess
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The categories of this paper are: bayes-an
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The categories of this paper are: ao-sci
12
The categories of this paper are: nucl-th