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Spatiotemporal characterization of water diffusion anomalies in saline solutions using machine learning force field

Ji Woong Yu, Sebin Kim, Jae Hyun Ryu, Won Bo Lee*, Tae Jun Yoon* (First author)

Science AdvancesVol. 10, No. 50, pp. eadp9662202410.1126/sciadv.adp9662

[MLFF] [Water]

Abstract

A machine-learning force field trained on quantum calculations reproduces salt-specific slowing and acceleration of water diffusion. Across salts, correlated water motion over space and time tracks the distinct diffusion response.