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cond-mat.mtrl-sci2026
Universal Interatomic Potentials as Configuration-Space Generators for One-Shot and Iterative Fine-Tuning of Ab Initio-Accurate Material-Specific Models
Jonas Hänseroth, Aaron Flötotto, Christian DreÃler
Universal machine-learning interatomic potentials (MLIPs) are rapidly becoming general-purpose tools for atomistic simulation, but their role in quantitative materials modeling whe…
cond-mat.mtrl-sci2026
Revealing Hydroxide Ion Transport Mechanisms in Commercial Anion-Exchange Membranes at Nano-Scale from Machine-learned Interatomic Potential Simulations
Jonas Hänseroth, Muhammad Nawaz Qaisrani, Mostafa Moradi +2
Hydroxide ion transport in anion-exchange membranes fundamentally limits the efficiency of alkaline water electrolysis for green hydrogen production, yet the atomic-scale transport…