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Our research is focused on computational materials modeling and design, including solid-state materials and complex fluids such as nanoporous media, membranes, biomolecules, ionic liquids and polymers for energy, environmental and pharmaceutical applications (such as carbon capture, water treatment, drug delivery, etc). The objective is to provide microscopic and mesoscopic insights into macroscopic properties/phenomena, to bridge the gap between physical and engineering sciences in emerging areas, and subsequently to assist in the rational design of novel materials and the optimization of engineering processes. The research is in the multidisciplinary field of materials, chemistry, physics and engineering, and in collaboration with internal and external experimental groups.