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Correlate phonon modes with ion transport via isotope substitution
Understanding the correlations between lattice dynamics (phonons) and ion transport is important for improving the ionic conductivity of solid-state electrolytes. This understanding largely hinges on selective...
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Article
Open AccessMLatom 2: An Integrative Platform for Atomistic Machine Learning
Atomistic machine learning (AML) simulations are used in chemistry at an ever-increasing pace. A large number of AML models has been developed, but their implementations are scattered among different packages,...