Electron density prediction for a four-million-atom aluminum system using machine learning, deemed to be infeasible using traditional DFT method. × Researchers from Michigan Tech and the University of ...

The arrangement of electrons in matter, known as the electronic structure, plays a crucial role in fundamental but also applied research such as drug design and energy storage. However, the lack of a ...

In materials science, if you can understand the "texture" of a material—how its internal patterns form and shift—you can begin to design how it behaves. That's the focus of the work of Zhenglu Li, ...