Molecular modeling has evolved from primitive models like hard spheres and square-wells to sophisticated descriptions of atomistic force laws, from the quantum scale to the mesoscale. To what extent have these models impacted chemical engineering practice? Based on these models, to what extent can chemical engineers design molecular assemblies the way that civil engineers design bridges? This session will address these questions by surveying the models of past, present, and future with an invited panel of experts.

AIChE Centennial: ChE Research and Technology - Past and Future

Computational Molecular Science and Engineering Forum (21)