Active learning of reactive Bayesian force fields applied to heterogeneous catalysis dynamics of H/Pt by Jonathan Vandermause, Yu Xie, Jin Soo Lim, Cameron J. Owen, Boris Kozinsky

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Learning local equivariant representations for large-scale atomistic dynamics by Albert Musaelian, Simon Batzner, Anders Johansson, Lixin Sun, Cameron J. Owen, Mordechai Kornbluth, Boris Kozinsky

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Decoding reactive structures in dilute alloy catalysts by Nicholas Marcella, Jin Soo Lim, Anna M. Płonka, George Yan, Cameron J. Owen, Jessi E. S. van der Hoeven, Alexandre C. Foucher, Hio Tong Ngan, Steven B. Torrisi, Nebojsa S. Marinkovic, Eric A. Stach, Jason F. Weaver, Joanna Aizenberg, Philippe Sautet, Boris Kozinsky, Anatoly I. Frenkel

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