57 citations · 101 across the 2 of their papers we have counts for
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cond-mat.other2004
Analysis of cooperativity and localization for atomic rearrangements
Semen A. Trygubenko, David J. Wales
We propose new measures of localization and cooperativity for the analysis of atomic rearrangements. We show that for both clusters and bulk material cooperative rearrangements usu…
cond-mat.other2004
A Doubly Nudged Elastic Band Method for Finding Transition States
Semen A. Trygubenko, David J. Wales
A modification of the nudged elastic band (NEB) method is presented that enables stable optimisations to be run using both the limited-memory quasi-Newton (L-BFGS) and slow-respons…