Active learning and element-embedding approach in neural networks for infinite-layer versus perovskite oxides
Combining density functional theory simulations and active learning of neural networks, we explore formation energies of oxygen vacancy layers, lattice parameters, and their statistical correlations in infinite-layer versus perovskite oxides across the periodic table, and place the superconducting n...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2021-11-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/PhysRevResearch.3.L042022 |