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A Two-Stage Monte Carlo Approach for Optimization of Bimetallic Nanostructures

Mikhov Rossen, Myasnichenko Vladimir, Kirilov Leoneed, Sdobnyakov Nickolay, Matrenin Pavel, Sokolov Denis, Fidanova Stefka

Annals of Computer Science and Information Systems

2020

Vol. 21

285--288

In this paper we propose a two-stage lattice Monte Carlo approach for optimization of bimetallic nanoalloys: simulated annealing on a larger lattice, followed by simulated diffusion. Both algorithms are fairly similar in structure, but their combination was found to give significantly better solutions than simulated annealing alone. We also discuss how to tune the parameters of the algorithms so that they work together optimally.