Scalable machine learning model for energy decomposition analysis in aqueous systems

Published in J. Chem. Phys. 163, 214115, 2025

Recommended citation: H. Tahmasbi, M. Beerbaum, B. Brzoza, A. Cangi, and T. D. Kühne. "Scalable machine learning model for energy decomposition analysis in aqueous systems." J. Chem. Phys. 163, 214115 (2025).