Frontiers of Molecular Simulation (Invited Talks)

This plenary session will highlight recent advances and remaining challenges in molecular simulations for chemical engineering applications. Examples of such applications include chemical processing, interfacial phenomena, catalysis, molecular design, elucidating structure-function relationships, understanding biomolecular processes, and multiscale modeling of complex systems. Molecular simulation methods, strategies for spanning length and timescales of particular applications, and the computational science challenges of molecular scale modeling will be included.