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 ...

Imagine having a super-powered lens that uncovers hidden secrets of ultra-thin materials used in our gadgets. Research led by University of Florida engineering professor Megan Butala enables a novel ...

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 ...

For more than half a century, materials scientists have struggled with how to simulate the complexity of polymer materials.

Machine learning is a subfield of artificial intelligence, which explores how to computationally simulate (or surpass) humanlike intelligence. While some AI techniques (such as expert systems) use ...