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Paul Trusov

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#graph neural networks Oct 2026

Machine‐Learning Surrogate Modeling of DFT ‐Calculated Binding Energies for Ionic Liquid Ion‐Pairs

ABSTRACT Ion–pair binding energy is a fundamental property that governs the physicochemical behavior of ionic liquids (ILs), influencing ion dissociation, transport, interfacial behavior, and field‐driven extraction processes across a wide range of applications. Accurate prediction of this quantity is therefore essenti...

Abu Taqui Md Tahsin, Paul Trusov, Rafid Bendimerad et al. · 0 citations

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