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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| 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
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-025-59304-1 |
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