Simulation and Modeling Seminar Series

Professor Karl Johnson

Dr. Johnson is a William Kepler Whiteford Professor of Chemical Engineering at the University of Pittsburgh and is currently serving as Department Interim Chair for Chemical Engineering.  He is a National Energy Laboratory Faculty Fellow.

                 Challenges in Atomistic Modeling

                            Friday, October 30, 2:30-3:30pm

                                       1175 Benedum Hall

Modeling phenomena at the atomic level has become a powerful tool for scientists and engineers in both academia and industry. Atomic-level modeling tools range from high-level quantum mechanical calculations to approximate statistical mechanical simulation techniques, with commensurate tradeoffs in accuracy and efficiency. Each method used has limitations in terms of the system sizes and time-scales that can be modeled. This talk will give an overview of some of the tools used in our research group and will discuss some of the limitations involved in each approach.