CHEM 7530 - Molecular Simulations

Molecular simulations and modeling are playing an increasingly important role in chemistry, for their power to bridge the way from the microscopic structure and interactions to macroscopic properties that are key for the modeling and design of new materials and processes. The purpose of this course is to educate students in the foundation and practice of classical Molecular Dynamics and Monte Carlo simulations. Through lectures, laboratory practice, review of recent literature and a final laboratory project, the students learn how to plan, execute and interpret molecular simulation experiments and to read critically the literature involving molecular simulations applied to chemistry, molecular physics and molecular biology.