Method

Q-Force flowchart. Gray: input, red: QM calculations, blue: fitting

For the detailed methodology, please check the corresponding manuscript:

Sami, S.; Menger, M. F. S. J.; Faraji, S.; Broer, R.; Havenith, R. W. A., Q-Force: Quantum Mechanically Augmented Molecular Force Fields. Journal of Chemical Theory and Computation 2021, 17 (8), 4946-4960.