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Annual Meeting of the Bulgarian Section of SIAM

BGSIAM 2017: Advanced Computing in Industrial Mathematics pp 277–289Cite as

Simulated Annealing Method for Metal Nanoparticle Structures Optimization

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Part of the book series: Studies in Computational Intelligence ((SCI,volume 793))

Abstract

The goal of this paper is to develop an efficient method to search for metal and bimetal nanoparticle structures with the lowest possible potential energy. This is a global optimization problem. In computational complexity theory, global optimization problems are NP-hard, meaning that they cannot be solved in polynomial time. Because of the severe difficulty of finding the global minimum, the simulated annealing algorithm was selected as main strategy. At the first step we use the lattice Monte Carlo method with different lattices. Then we relax the resulting nanoparticle structures at low temperature within molecular dynamics, choosing one of them as approximation of the global minimum. The numerical solution of an optimal cluster structure of Ag (200) shows the efficiency of the proposed method.

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Acknowledgements

The research presented here is partially supported by the Russian Foundation for Basic Research (project No. 17-53-04010 and project No. 18-38-00571) and the Bulgarian National Scientific Fund under the grant DFNI-DN 12/5 “Efficient Stochastic Methods and Algorithms for Large Scale Problems”.

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Authors and Affiliations

  1. Tver State University, Tver, Russia

    Vladimir Myasnichenko & Nikolay Sdobnyakov

  2. Institute of Information and Communication Technologies—Bulgarian Academy of Sciences, Sofia, Bulgaria

    Leoneed Kirilov, Rossen Mikhov & Stefka Fidanova

Authors
  1. Vladimir Myasnichenko
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  2. Leoneed Kirilov
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  3. Rossen Mikhov
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  4. Stefka Fidanova
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  5. Nikolay Sdobnyakov
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Correspondence to Vladimir Myasnichenko .

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Editors and Affiliations

  1. Institute of Information and Communication Technology, Bulgarian Academy of Sciences, Sofia, Bulgaria

    Krassimir Georgiev

  2. Faculty of Applied Mathematics and Informatics, Technical University of Sofia, Sofia, Bulgaria

    Michail Todorov

  3. Institute of Mathematics and Informatics and Institute of Information and Communication Technologies, Bulgarian Academy of Sciences, Sofia, Bulgaria

    Ivan Georgiev

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Myasnichenko, V., Kirilov, L., Mikhov, R., Fidanova, S., Sdobnyakov, N. (2019). Simulated Annealing Method for Metal Nanoparticle Structures Optimization. In: Georgiev, K., Todorov, M., Georgiev, I. (eds) Advanced Computing in Industrial Mathematics. BGSIAM 2017. Studies in Computational Intelligence, vol 793. Springer, Cham. https://doi.org/10.1007/978-3-319-97277-0_23

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