To test our new method, we applied the hybrid AIMD/cDFT method to 31 molecules and in the gas phase and were fixed during the AIMD/cDFT calculations. We used the van der Waals radii for the atoms in our test cases to account for the cavity size, which are Solvation energies of these molecules and ions in a very dilute solution with a concentration of 0.1 mM NaCl were calculated and listed in Table . The solvation energy in our model is defined as