172 citations · 1.1k across the 13 of their papers we have counts for
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Identifying "communities" within energy landscapes
Claire P. Massen, Jonathan P. K. Doye
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…
Characterizing the network topology of the energy landscapes of atomic clusters
Jonathan P. K. Doye, Claire P. Massen
By dividing potential energy landscapes into basins of attractions surrounding minima and linking those basins that are connected by transition state valleys, a network description…
Self-similar disk packings as model spatial scale-free networks
Jonathan P. K. Doye, Claire P. Massen
The network of contacts in space-filling disk packings, such as the Apollonian packing, are examined. These networks provide an interesting example of spatial scale-free networks,…
Thermodynamics and the Global Optimization of Lennard-Jones clusters
Jonathan Doye, David Wales, Mark Miller
Theoretical design of global optimization algorithms can profitably utilize recent statistical mechanical treatments of potential energy surfaces (PES's). Here we analyze the basin…