  Global minimum potential energy state can be very challenging to locate in a
relatively large atomistic system. Our present work investigates this problem
using an example of gold nanoclusters, Au10, Au20, Au30, Au50. Nanoscale gold
particles (NGPs) contribute heavily life sciences through their applications in
diagnostics and therapeutics. NGPs feature manifold atomistic configurations
depending on the conditions of synthesis. We apply annealing molecular dynamics
(AMD) as an alternative and supplement to the well-established eigenfollowing
(EF) geometry optimization. We conclude that the combination of AMD and EF
systematically works more efficiently than EF alone.
