This course offers an introduction to computational chemistry and molecular simulation methods. Computational chemistry involves using quantum mechanical models to obtain the electronic structure of atoms and molecules. Monte Carlo and Molecular Dynamics methods use input from quantum chemistry and empirical potentials to obtain equilibrium…

Introduction to chemical process design; objectives, conceptualization, and economics. We cover preliminary design (process flow diagrams) to detailed process definition with techniques to design heat exchange networks and separation systems. Safety, health, and environmental issues are addressed. The course also covers costing equipment to…