Molecular Theory and Modeling

Our research is dedicated to developing advanced theoretical tools and computational methods for rapid and quantitative prediction of the physicochemical properties of inhomogeneous fluids, soft materials, and biomolecular systems. Our work not only deepens the fundamental understanding of the microscopic structure and physical behavior of complex molecular systems across diverse thermodynamic conditions but also fosters innovation in critical engineering applications, including heterogeneous catalysis, energy storage, and environmental sustainability. 

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