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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

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Jun-Hong Li

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Open access Sep 2026

Efficient Tensorized Evaluation of Permutation Invariant Polynomials for Representing Potential Energy Surfaces

Permutation invariant polynomials (PIPs), together with related polynomial-based invariant descriptors such as fundamental invariants (FIs), are widely used in constructing high-fidelity global potential energy surfaces (PESs) of molecules that contain identical atoms. Although the monomial symmetrization approach (M...

Jun-Hong Li, Kai-Sheng Song, Hua Guo et al. · 0 citations

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