Emily A. Carter

A Divide-and-Conquer Embedded Correlated Wavefunction Transfer Learning Approach for Chemically Accurate Condensed-Phase Interatomic Potentials: Liquid Water as a Test Case

Combining the accuracy of correlated wavefunction theory with the efficiency of machine-learned interatomic potentials offers a promising route toward predictive condensed-phase dynamics. In our previous work [J. Chem. Theory Comput.2026, 22(10), 5174−5184, 10.1021/acs.jctc.6c00403.], we introduced an embedded correl...