Investigating the error imbalance of large-scale machine learning potentials in catalysis

This journal contribution is published Open Access by the publisher. Follow the DOI link to retrieve a copy of the full text. We acknowledge the computing resources used in this work was provided by the National Energy Research Scientific Computing Center (NERSC). Author R. C. acknowledges support from European Union's Horizon Europe (Marie Skłodowska-Curie grant No. 101108769).