The MLIP package: moment tensor potentials with MPI and active learning

Ivan S. Novikov, Konstantin Gubaev, Evgeny V. Podryabinkin, Alexander V. Shapeev. The MLIP package: moment tensor potentials with MPI and active learning. Mach. Learn. Sci. Technol., 2(2):25002, 2021. [doi]

Abstract

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