The algorithm achieved world-leading performance in crystal structure prediction benchmarks ... Additionally, ShotgunCSP, with its simple algorithmic design, possesses high compatibility with ...

Our team found a way to measure the internal crystal structure of these minerals directly in the rock, which was thought to be impossible on the surface of Mars." The team adapted a new analytical ...

People typically go about the problem by looking for local energy minima on an energy surface ‘Crystal structure prediction is one of those things that seems like it should be simple, until you really ...

However, many existing approaches are hindered by high computational complexity and the separate optimization of similarity and cluster structures. In light of these challenges, this paper presents a ...

Department of Materials Science and Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, United States ...