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Research

We study how chemical interactions, spatial organization, and environmental dynamics govern molecular transport. Our systems range from biological membranes and ion-conducting polymers to concentrated electrolytes and molecular interfaces.

Using molecular dynamics simulations and statistical mechanics, we connect microscopic motion with measurable properties such as permeability, conductivity, and selectivity. We ask when local diffusion models capture transport reliably and when collective motion, transient binding, or slow environmental rearrangements require a richer description.

Method development and applications inform each other: we test transport models against independent simulations and use challenging molecular environments to identify where new theory is needed.