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

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

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

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

DOI: http://dx.doi.org/10.15439/2020F135

Citation: Proceedings of the 2020 Federated Conference on Computer Science and Information Systems, M. Ganzha, L. Maciaszek, M. Paprzycki (eds). ACSIS, Vol. 21, pages 285–288 (2020)

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Abstract. 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.

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