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Structural transitions in the 309-atom magic number Lennard-Jones cluster
Eva G. Noya, Jonathan P. K. Doye
The thermal behaviour of the 309-atom Lennard-Jones cluster, whose structure is a complete Mackay icosahedron, has been studied by parallel tempering Monte Carlo simulations. Surpr…
A self-consistent approach to measure preferential attachment in networks and its application to an inherent structure network
Claire P. Massen, Jonathan P. K. Doye
Preferential attachment is one possible way to obtain a scale-free network. We develop a self-consistent method to determine whether preferential attachment occurs during the growt…
Protein crystallization in vivo
Jonathan P. K. Doye, Wilson C. K. Poon
Protein crystallization in vivo provides some fascinating examples of biological self-assembly. Here, we provide a selective survey to show the diversity of functions for which pro…
Melting of aluminium clusters
Eva G. Noya, Jonathan P. K. Doye, Florent Calvo
The melting of Al clusters in the size range 49 <= N <= 62 has been studied using two model interatomic potentials. The results for the two models are significantly different. The…
Power-law distributions for the areas of the basins of attraction on a potential energy landscape
Claire P. Massen, Jonathan P. K. Doye
Energy landscape approaches have become increasingly popular for analysing a wide variety of chemical physics phenomena. Basic to many of these applications has been the inherent s…
Geometric magic numbers of sodium clusters: Interpretation of the melting behaviour
Eva G. Noya, Jonathan P. K. Doye, David J. Wales
Putative global minima of sodium clusters with up to 380 atoms have been located for two model interatomic potentials. Structures based upon the Mackay icosahedra predominate for b…