What can one do with molecular simulations? Study complex systems i.e. those which cannot be described by simple theories o Calculate thermodynamic properties of complex systems(eg liquids internal energy, pressure, chemical potential, Henrys constant etc o Calculate transport properties, e. g. diffusion coefficient viscosity, coefficient of thermal conduction etc Calculate the rate of different types of chemical reactions .Determine different types of distribution functionsWhat can one do with molecular simulations? •Study complex systems, i.e., those which cannot be described by simple theories. •Calculate thermodynamic properties of complex systems (e.g., liquids): internal energy, pressure, chemical potential, Henry’s constant etc. •Calculate transport properties, e.g., diffusion coefficient, viscosity, coefficient of thermal conduction etc. •Calculate the rate of different types of chemical reactions •Determine different types of distribution functions