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cond-mat.mtrl-sci2022
Cluster expansion constructed over Jacobi-Legendre polynomials for accurate force fields
Michelangelo Domina, Urvesh Patil, Matteo Cobelli +1
We introduce a compact cluster expansion method, constructed over Jacobi and Legendre polynomials, to generate highly accurate and flexible machine-learning force fields. The const…
cond-mat.mtrl-sci2022★ 30 cited
A spectral-neighbour representation for vector fields: machine-learning potentials including spin
Michelangelo Domina, Matteo Cobelli, Stefano Sanvito
We introduce a translational and rotational invariant local representation for vector fields, which can be employed in the construction of machine-learning energy models of solids…