Solvation and Embedding Methods in Q-Chem
Are you studying a biomolecule in a complex environment? Do you want to know why that one reaction is more favorable if you use a polar solvent? Q-Chem has you covered. Our program comes with a variety of implicit solvent models, including SM8, C-PCM, and COSMO, as well as explicit solvent modeling. Additionally, we provide QM/MM functionality and several density embedding methods, as well as interfaces to popular packages CHARMM and GROMACS.