First-principles calculations reportedly quantify the Kondo effect in real materials

Modeling a magnetic atom without the usual simplifications

Researchers from Caltech and Yale reportedly modeled a single magnetic atom without the usual simplifications, then repeatedly applied quantum-physics calculations to predict the Kondo effect. The article says comparisons with laboratory measurements supported the predictions' accuracy.

Earlier work on the Kondo effect relied on experiments and simplified models; the supplied report does not provide a directly comparable baseline beyond that description.

The report says first-principles calculations were used to quantify the Kondo effect in real materials and, in some cases, were 100 times more accurate than simplified modeling.

Accurately modeling interacting electrons is difficult in quantum materials. The reported approach is limited to basic prototype systems, but researchers describe it as a step toward studying more complex materials without first relying on laboratory data.