Matlantis CSP has already produced early results across multiple systems—oxides, alloys, and phosphides—discovering more than 10 previously unknown stable crystals. In the Ga–Au–Ca system, it ...

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 ...

Crystal structure prediction (CSP) is typically addressed by combining first-principles calculations with optimization algorithms. For example, genetic algorithms are often employed to iteratively ...