Towards Autonomous Prediction and Synthesis of Novel Magnetic Materials

Discovering novel functional materials by the conventional approach is time-consuming and demands skill. Now, researchers from TUS and NIMS report a method that can autonomously identify new functional magnetic materials, speeding up their prediction as well as synthesis. Using first-principles calculations to determine magnetocrystalline anisotropy, followed by Bayesian optimization to efficiently search for candidate materials, and finally, through monoatomic alternating stacking, the researchers have successfully fabricated a new magnetic multilayer material, [Fe/Co/Fe/Ni]13.

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Tokyo University of Science

Tokyo University of Science

Tokyo University of Science (TUS) is one of the most well-known, respected, and the largest science-specialized private research universities in Japan.