most citedComparing the Accuracy of High-Dimensional Neural Network Potentials and the Systematic Molecular Fragmentation Method: A Benchmark Study for all-trans Alkanes

66 citations · 66 across the 1 of their papers we have counts for

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1 paper

physics.chem-ph2021★ 66 cited

Comparing the Accuracy of High-Dimensional Neural Network Potentials and the Systematic Molecular Fragmentation Method: A Benchmark Study for all-trans Alkanes

Michael Gastegger, Clemens Kauffmann, Jörg Behler +1

Many approaches, which have been developed to express the potential energy of large systems, exploit the locality of the atomic interactions. A prominent example are fragmentation…