most citedComparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions

170 citations · 170 across the 1 of their papers we have counts for

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physics.chem-ph2018★ 170 cited

Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions

Thuong T. Nguyen, Eszter Székely, Giulio Imbalzano +5

The accurate representation of multidimensional potential energy surfaces is a necessary requirement for realistic computer simulations of molecular systems. The continued increase…