In functional materials, like organic semiconductors, controlling crystal structures is crucial for achieving desired electronic properties. However, crystal structure prediction (CSP) is an ...

Researchers from The University of New Mexico and Los Alamos National Laboratory have developed a novel computational framework that addresses a longstanding challenge in statistical physics. The ...

A recent study published in Nature Materials examined how machine learning is used to reveal the atomic mechanisms of argyrodites, which could open the doors for a new age of energy storage. This is ...