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Atomistic structure search using local surrogate model:

Rønne, Nikolaj ; Christiansen, Mads Peter V ; Slavensky, Andreas Møller...
https://pure.au.dk/portal/da/publications/atomistic-structure-search-using-local-surrogate-model(573a4c80-7676-42ba-b63f-4e678fa2dc4f).html.  , 2022