High-throughput ab initio calculations and machine learning to discover SrFeO3-δ-based perovskites for chemical-looping applications

Ramanzi, A., Duell, B.A., Popczun, E.J., Natesakhawat, S., Nandi, T., Lekse, J.W., and Duan, Y. (2024). High-throughput ab initio calculations and machine learning to discover SrFeO3-δ-based perovskites for chemical-looping applications. Cell Reports Physical Science, 5(2), 101797. https://doi.org/10.1016/j.xcrp.2024.101797