Many problems of chemical engineering interest are governed by time and length scales that differ by several orders of magnitude. Bridging these scales is a challenging problem and a gamut of modern, multi-scale methods combine simulation techniques and coarse-graining methods to obtain meaningful results. The algorithmic balance and message passing necessary to resolve the finest scales and provide the microscopic details and to simulate the full phenomenon at the macroscopic scales relevant for practical analysis and design purposes is a major focus of this session. Papers are solicited on novel, integrated multi-scale modeling methods with emphasis on discussion of algorithmic details and applications in chemical and biological engineering.

Computational Molecular Science and Engineering Forum