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
In my group, we leverage our expertise in optimization and multhyphysics simulations to formulate mathematical models enabling the identification of new, sustainable, and innovative processes, and materials. We are motivated by the grand-challenges in sustainability: (1) the need to develop carbon-neutral processes to produce energy and chemicals, (2) the need to minimize waste generation, and (3) the urgency to find mitigation strategies to alleviate the damage already done.…
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.…