Our faculty develop and apply mathematical models, theory, and computational methods to understand and predict the behavior of complex chemical, biological, material, and process systems. Research spans molecular, particle, continuum, and systems scales, connecting fundamental interactions and transport phenomena with experimentally observable behavior and process performance. These quantitative approaches enable scientific discovery, guide experiments and materials design, and support the development and optimization of new technologies and processes.
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.…