Accelerating the discovery of single-molecule magnets with deep learning

Single-molecule magnets (SMMs) are exciting materials. In a recent breakthrough, researchers have used deep learning to predict SMMs from 20,000 metal complexes. The predictions were made solely based on the crystal structures of these metal complexes, thus eliminating the need for time-consuming experiments and complex simulations. As a result, this method is expected to accelerate the development of functional materials, especially for high-density memory and quantum computing devices.