September 5, 2025InorganicsOpen Access

Implementation of a Particle Swarm Optimization Algorithm with a Hooke’s Potential, to Obtain Cluster Structures of Carbon Atoms, and of Tungsten and Oxygen in the Ground State

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Modified PSO algorithm accelerates finding cluster structures in carbon and tungsten-oxygen, indicating computational efficiency.

The particle swarm optimization algorithm achieved comparable accuracy to traditional methods like density functional theory.
Results obtained through PSO were compared against those from the basin-hopping method and DFT calculations.
The modified PSO was implemented in Fortran 90, showing low computational cost during optimization.
Structural parameters for carbon clusters and tungsten-oxygen clusters matched well with X-ray diffraction data.

Nuñez et al. (2025) studied this question.

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