How robust are modern graph neural network potentials in long and hot molecular dynamics simulations? - researchr publication

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Sina Stocker, Johannes Gasteiger, Florian Becker, Stephan Günnemann, Johannes T. Margraf. How robust are modern graph neural network potentials in long and hot molecular dynamics simulations?. Mach. Learn. Sci. Technol., 3(4):45010, December 2022. [doi]

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