172 citations · 722 across the 17 of their papers we have counts for
Showing 1998 · cond-matShow all
3 papers · 2 filters
cond-mat1998
The double-funnel energy landscape of the 38-atom Lennard-Jones cluster
Jonathan Doye, Mark Miller, David Wales
The 38-atom Lennard-Jones cluster has a paradigmatic double-funnel energy landscape. One funnel ends in the global minimum, a face-centred-cubic (fcc) truncated octahedron. At the…
cond-mat1998
Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms
David Wales, Jonathan Doye
We describe a global optimization technique using `basin-hopping' in which the potential energy surface is transformed into a collection of interpenetrating staircases. This method…
cond-mat1998
Structural Transitions and Global Minima of Sodium Chloride Clusters
Jonathan Doye, David Wales
In recent experiments on sodium chloride clusters structural transitions between nanocrystals with different cuboidal shapes were detected. Here we determine reaction pathways betw…