27 citations · 47 across the 3 of their papers we have counts for
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physics.comp-ph2022★ 9 cited
Hyperactive Learning (HAL) for Data-Driven Interatomic Potentials
Cas van der Oord, Matthias Sachs, Dávid Péter Kovács +2
Data-driven interatomic potentials have emerged as a powerful class of surrogate models for {\it ab initio} potential energy surfaces that are able to reliably predict macroscopic…
physics.comp-ph2019★ 27 cited
Regularised Atomic Body-Ordered Permutation-Invariant Polynomials for the Construction of Interatomic Potentials
Cas van der Oord, Geneviève Dusson, Gabor Csanyi +1
We investigate the use of invariant polynomials in the construction of data-driven interatomic potentials for material systems. The "atomic body-ordered permutation-invariant polyn…