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JOURNALS // Zhurnal Vychislitel'noi Matematiki i Matematicheskoi Fiziki // Archive
Zh. Vychisl. Mat. Mat. Fiz., 2014 Volume 54, Number 12, Pages 1994–2001 (Mi zvmmf10129)
This article is cited in 11 papers

Optimization methods as applied to parametric identification of interatomic potentials

K. K. Abgaryan, M. A. Posypkin

Dorodnicyn Computing Center, Russian Academy of Sciences, ul. Vavilova 40, Moscow, 119333, Russia

Abstract: Various optimization methods are applied to parametric identification of interatomic potentials. The problem of choosing parameters of the Tersoff potential in the case of covalently bonded monocrystals is considered.

Key words: optimization methods, parametric identification, objective function, gradient methods, Tersoff potential, software package.

UDC: 519.658

Received: 29.07.2014

DOI: 10.7868/S0044466914120023


 English version: Computational Mathematics and Mathematical Physics, 2014, 54:12, 1929–1935

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© Steklov Math. Inst. of RAS, 2025