An iterative global optimization algorithm for potential energy minimization

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An iterative global optimization algorithm for potential energy minimization

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Moloi, N.P.

Ali, M.M.

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2003-03

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In this paper we propose an algorithm for the minimization of potential energy functions. The new algorithm is based on the differential evolution algorithm of Storn and Price [1]. The algorithm is tested on two different potential energy functions. The first function is the Lennard Jones energy function and the second function is the many-body potential energy function of Tersoff [2, 3]. The first problem is a pair potential and the second problem is a semi-empirical many-body potential energy function considered for silicon-silicon atomic interactions. The minimum binding energies of up to atoms are reported.

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Institute for Mathematics and Its Applications>IMA Preprints Series

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Moloi, N.P.; Ali, M.M.. (2003). An iterative global optimization algorithm for potential energy minimization. Retrieved from the University Digital Conservancy, https://hdl.handle.net/11299/3869.

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