A genetic algorithm for Lennard-Jones atomic clusters

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Abstract

In regard to the problem of determining minimum L-J configurations for clusters of n atoms, we present here a genetic algorithm able to reproduce all best-known solutions in the 13 < n < 147 size range. These include not only the classical structures adhering to the icosahedral-growth, but also seven icosahedral structures with incomplete core, six more following the Marks decahedron geometry, and the unique (n = 38) face-centered cubic configuration that has been found in this range. © 1999 Elsevier Science Ltd. All rights reserved.

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Barrón, C., Gómez, S., Romero, D., & Saavedra, A. (1999). A genetic algorithm for Lennard-Jones atomic clusters. Applied Mathematics Letters, 12(7), 85–90. https://doi.org/10.1016/S0893-9659(99)00106-8

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