172 citations · 1.1k across the 13 of their papers we have counts for
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Entropic effects on the structure of Lennard-Jones clusters
Jonathan P. K. Doye, Florent Calvo
We examine in detail the causes of the structural transitions that occur for those small Lennard-Jones clusters that have a non-icosahedral global minima. Based on the principles l…
Saddle Points and Dynamics of Lennard-Jones Clusters, Solids and Supercooled Liquids
Jonathan P. K. Doye, David J. Wales
The properties of higher-index saddle points have been invoked in recent theories of the dynamics of supercooled liquids. Here we examine in detail a mapping of configurations to s…
Modelling the structure of clusters of C_60 molecules
Jonathan P. K. Doye, David J. Wales, Wolfgang Branz +1
We locate putative global minima for (C_60)_N clusters modelled by the potential of Pacheco and Prates-Ramalho up to N=105. These minima are based on icosahedral packing up to N=15…