  For many chemical processes the accurate description of solvent effects are
vitally important. Here, we describe a hybrid ansatz for the explicit quantum
mechanical description of solute-solvent and solvent-solvent interactions based
on subsystem density functional theory and continuum solvation schemes. Since
explicit solvent molecules may compromise scalability of the model and
transferability of the predicted solvent effect, we aim to retain both, for
different solutes as well as for different solvents. The key for the
transferability is the consistent subsystem decomposition of solute and
solvent. The key for the scalability is the performance of subsystem DFT for
increasing numbers of subsystems. We investigate molecular dynamics and
stationary point sampling of solvent configurations and compare the resulting
(Gibbs) free energies to experiment and theoretical methods. We can show that
with our hybrid model reaction barriers and reaction energies are accurately
reproduced compared to experimental data.
