Offer Description
Postdoctoral Position Proposal This project aims to study, through numerical simulations, the transport of ions and water in sub-nanometer hexagonal boron nitride (hBN) channels using an ML-MD approach with DFT-accurate MACE potentials. A central methodological focus will be the precise determination of the number of confined water molecules, addressed through two parallel strategies: connecting the channel to a fixed-pressure reservoir, and the mobile pistons approach proposed by R. Netz's…
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