Our research efforts are driven by the desire to learn about complex chemical systems on the microscopic level. We focus on understanding how molecular architecture and composition influence structure, phase behavior and function of the system of interest. Our group is developing transferable force fields and efficient Monte Carlo algorithms. These allow us to predict both accurate and precise thermodynamic data for a wide range of chemical systems, including those not amenable to conventional simulation approaches and for which experimental data are not readily accessible. We apply these techniques to solve challenging problems in separation science.
Professor Siepmann is adviser to graduate and undergraduate students in the fields of chemistry, chemical engineering, materials science, and chemical physics.
