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Dielectric tensor of perovskite oxides at finite temperature using equivariant graph neural network potentials by Alex Kutana, Koki Yoshimochi, Ryoji Asahi
Published 2025-12-01Atomistic simulations of properties of materials at finite temperatures are computationally demanding and require models that are more efficient than the ab initio approaches. Machine learning (ML) and artificial intelligence (AI) address this issue by enabling accurate models with close to ab initi...
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