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Ion Transport

How do ions move through their molecular environment?

Ion transport depends on solvation, interactions between charge carriers, and the organization of the surrounding material. We use molecular simulations to connect these processes with diffusion and ionic conductivity.

Anion-Exchange Membranes

We investigate hydroxide motion in hydrated polymer membranes. We analyze trajectories from simulations with machine-learned potentials to understand how membrane structure and hydration influence mobility and its preferred directions.

Concentrated Electrolytes

Ions and solvent molecules often move in a correlated way. Individual diffusion coefficients therefore do not tell the full story of charge transport. We use simplified models and realistic lithium electrolytes to investigate how solvation and molecular interactions shape collective motion.

Across both systems, our aim is to explain how molecular organization determines transport. Read more about our analysis methods.

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