Autonomous synthesis system integrating theoretical, informatics, and experimental approaches for large-magnetic-anisotropy materials

We developed an autonomous and efficient system for synthesising ferromagnetic materials with large magnetocrystalline anisotropy by integrating theoretical, informatics, experimental approaches. By combining the first-principles calculation of magnetic Bayesian optimisation, we virtually screened candidate materials, comprising four elements four-layer periods, from various multilayers. employed expected improvement as acquisition function Matern52 kernel function, to develop a robust machine learning model. fabricated top three predicted under laboratory conditions monoatomic layer deposition evaluated their using superconducting quantum interference device (SQUID). Ultimately, demonstrated that [Fe/Co/Fe/Ni]13 is novel material whose exceeds L10-FeNi- L10-FeCo-type alloys. Furthermore, origin perpendicular was derived spin-conserving well spin-flip terms. determined optimisation offers promising configurability features in terms electronic structure extend beyond empirical knowledge human intuition.