Accelerating crystal structure prediction by machine-learning interatomic potentials with active learning

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Podryabinkin, Evgeny V., Tikhonov, Evgeny V., Shapeev, Alexander V., Oganov, Artem R.. 2019-02-27. Accelerating crystal structure prediction by machine-learning interatomic potentials with active learning. https://doi.org/10.1103/physrevb.99.064114

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