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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. eadp9662(2024)DOI
MLFFWater

Abstract

Spatiotemporal anomalies in water diffusion within saline solutions are characterized using machine learning force fields. Ion-water interactions produce spatially heterogeneous diffusion coefficients that vary on molecular length scales.