Kaplan, Aaron D.

Accurate and Numerically Efficient r2SCAN Meta-Generalized Gradient Approximation

Furness, J. W., Kaplan, A. D., Ning, J., Perdew, J. P., & Sun, J. (2020) · The Journal of Physical Chemistry Letters

Advanced Chemical Physics StudiesMachine Learning in Materials Science

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A foundation model for atomistic materials chemistry

Batatia, I., Benner, P., Chiang, Y., Elena, A. M., Kovács, D. P., Riebesell, J., Advincula, X. R., Asta, M., Avaylon, M., Baldwin, W. J., et al. (2024) · arXiv

Machine Learning in Materials ScienceAdvanced Chemical Physics Studies

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