Transferable Kinetic Monte Carlo Models with Thousands of Reactions Learned from Molecular Dynamics Simulations

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Transferable Kinetic Monte Carlo Models with Thousands of Reactions Learned from Molecular Dynamics Simulations.pdf(2.76 KB)
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2019
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https://doi.org/10.1021/acs.jpca.8b09947
 https://repositorio.uc.cl/handle/11534/60177
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