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Computational and Theoretical Approaches for Understanding Complex Fluids


Vincent Shen         Research Opportunity Number 50.63.21.B6773

Our goal is to develop and apply new computational (molecular simulation) and theoretical (statistical mechanics and thermodynamics) methods to study complex fluids, with an emphasis on multicomponent systems. Current efforts focus on the development of flat-histogram methods, which have been applied to study a broad range of problems including the fluid-phase behavior of multicomponent systems in bulk and under confinement, phase transitions, metastable liquids, and protein aggregation.