Phys.org

Crystallography-informed AI achieves high performance in predicting novel crystal structures

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 ...
Nature

Efficient crystal structure prediction based on the symmetry principle

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 ...
Nature

Shotgun crystal structure prediction using machine-learned formation energies

The prediction of stable or metastable crystal structures from a given chemical composition has remained a fundamentally unsolved task in solid-state physics for several decades 1,2. In principle, the ...
EurekAlert!

Crystallography-informed AI achieves world-leading performance in predicting novel crystal structures

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 ...