Using state-of-the-art density functional theory (DFT) simulations, they showed that when a single layer of the semiconductor ...

From transistors and flexible display to neuromorphic chips, the future of electronics is expected to be significantly ...

(a) The distribution of magnetic moments for the transition metal halides. A histogram of DFT magnetic moment values (right axis, blue) is displayed alongside a histogram of ML predictions (left axis, ...

Scientists at Tohoku University and colleagues in Japan have developed a mathematical model that helps predict the tiny changes in carbon-based materials that could yield interesting properties. A new ...