Vandermause, Jonathan

On-the-fly active learning of interpretable Bayesian force fields for atomistic rare events

Vandermause, J., Torrisi, S. B., Batzner, S., Xie, Y., Sun, L., Kolpak, A. M., & Kozinsky, B. (2020) · npj Computational Materials

Machine Learning in Materials ScienceAdvanced Chemical Physics Studies

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Active learning of reactive Bayesian force fields applied to heterogeneous catalysis dynamics of H/Pt

Vandermause, J., Xie, Y., Lim, J. S., Owen, C. J., & Kozinsky, B. (2022) · Nature Communications

Machine Learning in Materials ScienceAdvanced Chemical Physics Studies

Cited by 147