Free Energy Calculation An average timeindependent free energy surface F (s) of the process illustrated in Fig. was obtained through MFI. For a free energy reconstruction, the simulations set up to recover kinetics from biased sampling were used. These comprise of 30 independent replicas per starting configuration, where a starting configuration refers to an ibuprofen molecule embedded in the outer-most crystalline layer at the solid/liquid interface for each surface/solvent combination.