most citedAtomistic structure search using local surrogate mode

24 citations · 24 across the 1 of their papers we have counts for

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physics.chem-ph2022★ 24 cited

Atomistic structure search using local surrogate mode

Nikolaj Rønne, Mads-Peter V. Christiansen, Andreas Møller Slavensky +5

We describe a local surrogate model for use in conjunction with global structure search methods. The model follows the Gaussian approximation potential (GAP) formalism and is based…