Unified differentiable learning of electric response

Abstract Predicting response of materials to external stimuli is a primary objective of computational materials science. However, current methods are limited to small-scale simulations due to the unfavorable scaling of computational costs. Here, we implement an equivariant machine-learning framework...

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Bibliographic Details
Main Authors: Stefano Falletta, Andrea Cepellotti, Anders Johansson, Chuin Wei Tan, Marc L. Descoteaux, Albert Musaelian, Cameron J. Owen, Boris Kozinsky
Format: Article
Language:English
Published: Nature Portfolio 2025-04-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-025-59304-1
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