With the tools of computational materials science, we will study molecular recognition mechanisms of polymers to proteins over broad spatiotemporal scales using all-atom, coarse-grained, and continuum models, to predictively engineer adaptive, hybrid systems for applications in clean energy and health

To sustain materials discovery in the future given the limited resources at our disposal, predictive engineering techniques must be employed to allow for efficient design and optimization of materials

Understanding molecular scale interactions (electrostatic, hydrophobic, van der Waals) that lead to emergent properties like binding, mechanical stability, selectivity will enable rational design of complex hybrid materials