Physical and Theoretical Chemistry

Multiscale Modeling in Chemistry

This session bridges different modeling scales, from quantum mechanics to mesoscale simulations. Attendees will explore coarse-grained models, hybrid QM/MM methods, and continuum theories. Applications include biomolecular dynamics, material design, and polymer systems. The integration of scales for predicting realistic behaviors will be emphasized. Case studies will highlight energy systems, nanomaterials, and environmental processes. Challenges in accuracy, efficiency, and transferability will be addressed. The session provides strategies to unify models across diverse chemical scales.