A rotating cylinder with its side cut away to expose the core, showing patches of purple, blue, green, yellow, and orange that are dense in the middle and more diffuse toward the edges. This rotating ...

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 ...

When experiments are impractical, density functional theory (DFT) calculations can give researchers accurate approximations of chemical properties. The mathematical equations that underpin the ...