Deep neural networks capable of representing the density functional theory (DFT) Hamiltonian as a function of material structure hold great promise for revolutionizing future electronic structure ...

Ab initio studies of magnetic superstructures are indispensable to research on emergent quantum materials, but are currently bottlenecked by the formidable computational cost. Here, to break this ...

Many challenging problems in diverse areas such as computer vision, speech recognition, and machine language translation have recently made great progress by using an emerging technology called deep ...