Computational chemistry 1 Computational studies 1 Condensed phase 1 Condensed phasis 1 Dynamics of system Electronic structure 1 Liquid Phase 1 Liquid phasis 1 Molecular Dynamics Simulation 1 Molecular dynamics 1 Molecular modeling 1 Non-adiabatic dynamics 1 Nonadiabatic molecular dynamics 1 Quantum Theory 1 Quantum mechanical/molecular mechanical 1 Quantum theory 1 Solvation 1 Solvents 1 Ultra-fast 1 chemistry 1 molecular dynamics 1 quantum theory 1 solvent 1