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cond-mat.mtrl-sci2022★ 8 cited
Fast proper orthogonal descriptors for many-body interatomic potentials
Ngoc-Cuong Nguyen
The development of differentiable invariant descriptors for accurate representations of atomic environments plays a central role in the success of interatomic potentials for chemis…
cond-mat.mtrl-sci2022★ 13 cited
Proper Orthogonal Descriptors for Efficient and Accurate Interatomic Potentials
Ngoc Cuong Nguyen, Andrew Rohskopf
We present the proper orthogonal descriptors for efficient and accuracy representation of the potential energy surface. The potential energy surface is represented as a many-body e…