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cond-mat.soft2025
Dehydration-Driven Ion Aggregation and the Onset of Gelation in ZnCl Solution
Alexei V. Tkachenko, Chuntian Cao, Amy C. Marschilok +1
A minimal model of ionic aggregation in concentrated ZnCl is developed, guided by molecular dynamics simulations with a machine-learned potential. It explicitly incorporates so…
cond-mat.mtrl-sci2025
Advancing AI-Driven Analysis in X-ray Absorption Spectroscopy: Spectral Domain Mapping and Universal Models
Nina Cao, Pavan Ravindra, Shubha R. Kharel +6
In recent years, rapid progress has been made in developing artificial intelligence (AI) and machine learning (ML) methods for x-ray absorption spectroscopy (XAS) analysis. Compare…