Separations
Identify the polymer membranes or metal-organic frameworks (MOFs) that achieve high selectivity and rejection by modeling binding, solvation, transport, and selectivity from critical-mineral recovery to product purification, before a single campaign scales.
Which materials, conditions, and additives work together to separate target species with greater selectivity and recovery?
Quantum calculations set binding and solvation energetics. Machine-learned dynamics predicts transport through the membrane. Screening sweeps structural libraries against your target species.
Permeability and rejection measurements calibrate the digital experiments and surrogates, grounding predictions in membranes you have actually tested.
Identify promising recovery and purification paths before scaling exploratory laboratory campaigns.