172 citations · 1.1k across the 13 of their papers we have counts for
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Polytetrahedral Clusters
Jonathan Doye, David Wales
By studying the structures of clusters bound by a model potential that favours polytetrahedral order, we find a previously unknown series of `magic numbers' (i.e. sizes of special…
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…
Global Optimization and the Energy Landscapes of Dzugutov Clusters
Jonathan Doye, David Wales, Sergei Simdyankin
The global minima of clusters bound by a Dzugutov potential form non-compact polytetrahedral clusters mainly composed of interpenetrating and face-sharing 13-atom icosahedra. As th…
Physical perspectives on the global optimization of atomic clusters
Jonathan Doye
In this chapter the physical aspects of the global optimization of the geometry of atomic clusters are elucidated. In particular, I examine the structural principles that determine…
The effect of compression on the global optimization of atomic clusters
Jonathan Doye
Recently, Locatelli and Schoen proposed a transformation of the potential energy that aids the global optimization of Lennard-Jones clusters with non-icosahedral global minima. The…