Our research group is focused on studying, exploring, and designing novel micro/nanoscale materials with improved functionality in order to address engineering challenges in the areas of energy and thermal-fluid sciences. We take advantage of Machine Learning-based methods to implement computational design and discovery of a wide variety of multifunctional materials. Our team investigates self-assembly, structural evolution, and thermophysical properties of a wide variety of hybrid organic-inorganic superstructures as well as polymer-based materials with unique architectures.