  We investigate the effects of various dopants (M = K--Br) on the Curie
temperature of the magnetic compound NdFe12 through first-principles
calculations. Analysis by the Korringa--Kohn--Rostoker method with the coherent
potential approximation reveals that doping the Fe sites with optimal
concentrations of Ge and As is a promising strategy for increasing the Curie
temperature. To search over a wider space, we also perform Bayesian
optimization. Out of over 180,000 candidate compositions, co-doped systems with
Co, Ge, and As are found to have the highest Curie temperatures.
