Abstract
Minimizing the Lennard-Jones potential, the most studied molecular conformation problem, is an unconstrained global optimization problem. Finding the global minimum of this function is very difficult because of the presence of a large number of local minima, which grows exponentially with molecule size. Attempts have been made to solve this problem using several optimization algorithms. In this paper a newly developed parallel particle swarm optimization (PPSO) algorithm is applied to solve this problem. Computational results for a cluster containing 10 atoms are obtained. The results obtained by PPSO show a significant performance in terms of speed-up without compromising the accuracy when compared to those obtained by sequential PSO. To the best of our knowledge this is the first attempt to solve Lennard-Jones 10 atoms problem using a PPSO.
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Deep, K., Arya, M. (2010). Minimization of Lennard-Jones Potential Using Parallel Particle Swarm Optimization Algorithm. In: Ranka, S., et al. Contemporary Computing. IC3 2010. Communications in Computer and Information Science, vol 94. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-14834-7_13
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DOI: https://doi.org/10.1007/978-3-642-14834-7_13
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