Computational and Theoretical Approaches for Understanding Complex Fluids
Material Measurement Laboratory, Chemical Sciences Division
NIST only participates in the February and August reviews.
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.