Research authored by partners from the Bottle Consortium and published in Nature Communications this month aims to challenge ...

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 ...

By applying new methods of machine learning to quantum chemistry research, Heidelberg University scientists have made significant strides in computational chemistry. They have achieved a major ...

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 ...

In an increasingly interconnected world, understanding the behavior and structure of complex networks has become essential ...