161 citations · 218 across the 4 of their papers we have counts for
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Comment on ``Strontium clusters: Many-body potential, energetics, and structural transitions'' [J. Chem. Phys. 115, 3640 (2001)]
Jonathan P. K. Doye, Florent Calvo
Parallel tempering simulations for Sr_34 and Sr_61 indicate that, contrary to Wang et al.'s predictions [J. Chem. Phys. 115, 3640 (2001)], there are no solid-solid transitions for…
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…
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…
Entropic effects on the Size Evolution of Cluster Structure
Jonathan Doye, Florent Calvo
We show that the vibrational entropy can play a crucial role in determining the equilibrium structure of clusters by constructing structural phase diagrams showing how the structur…