Crystal structure prediction (CSP) is an evolving field aimed at discerning crystal structures with minimal prior information. Despite the success of various CSP algorithms, their practical ...

A research team from the Institute of Statistical Mathematics and Panasonic Holdings Corporation has developed a machine learning algorithm, ShotgunCSP, that enables fast and accurate prediction of ...

Solving black-box optimization problems with Ising machines is increasingly common in materials science. However, their application to crystal structure prediction (CSP) is still ineffective due to ...

Recent benchmark studies have revealed that current CSP algorithms can predict only less than 50% of all crystal systems , highlighting significant limitations in their performance. The research team ...