Advanced Materials » Modeling, Theory, and Simulation

We develop mathematical theories, AI-based algorithms, and computational simulations across the atomistic, particle, and continuum levels to model chemical engineering processes, with the aims of gaining fundamental scientific knowledge and devising next-generation applications in in-space manufacturing, renewable energy, drug delivery, geological formation, electrochemical impedance spectroscopy, and membrane-based separation.

Faculty

Photo of Mark Orazem Mark Orazem Distinguished Professor and Associate Chair for Graduate Studies
(352) 392-6207

ELECTROCHEMICAL ENGINEERING The research performed in this group represents applications of electrochemical engineering to systems of practical importance. In recent work, electrokinetic phenomena were exploited to enhance continuous separation of water from dilute suspensions of clay associated with phosphate mining operations. The technology developed in this project is intended to greatly reduce the environmental impact of mining operations.…

Photo of Janani Sampath Janani Sampath Assistant Professor

WE STUDY POLYMERS, PROTEINS, AND THEIR HYBRIDS TO DESIGN THE NEXT GENERATION OF SOFT MATERIALS using molecular dynamics simulations, high throughout computations, and enhanced sampling methods. 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.…