most citedSOFI: Finding point group symmetries in atomic clusters as finding the set of degenerate solutions in a shape-matching problem

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physics.comp-ph2024★ 3 cited

SOFI: Finding point group symmetries in atomic clusters as finding the set of degenerate solutions in a shape-matching problem

Miha Gunde, Nicolas Salles, Luca Grisanti +2

Point Group (PG) symmetries play a fundamental role in many aspects of theoretical chemistry and computational materials science. With the objective to automatize the search of PG…