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Journal article

Identifying communities within energy landscapes.

Abstract:

Potential energy landscapes can be represented as a network of minima linked by transition states. The community structure of such networks has been obtained for a series of small Lennard-Jones (LJ) clusters. This community structure is compared to the concept of funnels in the potential energy landscape. Two existing algorithms have been used to find community structure, one involving removing edges with high betweenness, the other involving optimization of the modularity. The definition of ...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1103/physreve.71.046101

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
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Funding agency for:
Doye, J
Engineering and Physical Sciences Research Council More from this funder
Royal Society More from this funder
Publisher:
American Physical Society Publisher's website
Journal:
Physical Review E Journal website
Volume:
71
Issue:
4
Article number:
046101
Publication date:
2005-04-01
DOI:
EISSN:
1550-2376
ISSN:
1539-3755
Source identifiers:
39516
Language:
English
Keywords:
Pubs id:
pubs:39516
UUID:
uuid:0c5f397a-95d6-441a-a53f-cb9f7bbf2106
Local pid:
pubs:39516
Deposit date:
2013-03-20

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