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Showing 1 to 1 of 1 for “"Electride, Clathrate, Machine Learning, Superconductivity"”.
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Exploration of High-Pressure Electride, Polymorphic Transformations, and Superconducting Clathrate Frameworks
… theory calculations, accelerated by machine-learned interatomic potentials and high-throughput workflows, routinely predict phase stability, electronic structure, and functional properties with near-experimental accuracy. These computational insights not only elucidate fundamental …