Designing high-T C superconductors with BCS-inspired screening, density functional theory, and deep-learning

Abstract We develop a multi-step workflow for the discovery of conventional superconductors, starting with a Bardeen–Cooper–Schrieffer inspired pre-screening of 1736 materials with high Debye temperature and electronic density of states. Next, we perform electron-phonon coupling calculations for 105...

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Bibliographic Details
Main Authors: Kamal Choudhary, Kevin Garrity
Format: Article
Language:English
Published: Nature Portfolio 2022-11-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-022-00933-1