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Benchmarking machine learning potentials

Fuchun Ge Posted on September 24, 2021 Posted in Featured Publication, News No Comments Tagged with publication, release

Max Pinheiro Jr, Fuchun Ge, Nicolas Ferré, Pavlo O. Dral, Mario Barbatti. Choosing the right molecular machine learning potential. Chem. Sci., 2021, 12, 14396–14413. DOI: 10.1039/D1SC03564A.

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