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cs.LG2026
Predicting Activities in Aqueous Electrolyte Solutions with Hybrid Machine Learning
Zeno Romero, Maximilian Kohns, Fabian Jirasek
Activities in aqueous electrolyte solutions, usually described by ionic activity and osmotic coefficients, are important properties for modeling many processes in industry and natu…
cs.LG2026
Prediction of Diffusion Coefficients in Mixtures with Tensor Completion
Zeno Romero, Kerstin Münnemann, Hans Hasse +1
Predicting diffusion coefficients in mixtures is crucial for many applications, as experimental data remain scarce, and machine learning (ML) offers promising alternatives to estab…