Spakowitz Research Group

Theory and Computation of Biological Processes and Soft Materials

CHEMENG 340. Molecular Thermodynamics

Review of classical thermodynamics. Introduction to statistical thermodynamics; ensembles and partition functions. Application to phase equilibrium of solids and liquids, phase diagrams, and molecular dynamics simulation. Intermolecular forces, and distribution functions, liquid state theory, integral equations, and perturbation theory.