172 citations · 288 across the 3 of their papers we have counts for
12 papers · 1 filter
Some Further Results for the Stationary Points and Dynamics of Supercooled Liquids
David J. Wales, Jonathan P. K. Doye
We present some new theoretical and computational results for the stationary points of bulk systems. First we demonstrate how the potential energy surface can be partitioned into c…
Comment on ``Quasisaddles as relevant points of the potential energy surface in the dynamics of supercooled liquids'' [J. Chem. Phys. 116, 10297 (2002); cond-mat/0203301]
Jonathan P. K. Doye, David J. Wales
Recently, the properties of supercooled liquids have been studied by mapping instaneous configurations onto minima of the gradient squared. It was originally suggested that this ma…
The favoured cluster structures of model glass formers
Jonathan P. K. Doye, David J. Wales, Fredrik H. M. Zetterling +1
We examine the favoured cluster structures for two new potentials, which both behave as monatomic model glass-formers in bulk. We find that the oscillations in the interatomic pote…
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…
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…
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…