Crystal structures have a decisive impact on the properties of materials, and research on crystal structures often serves as a starting point for material studies. Crystal structure prediction is a ...

"Our workflow employs a unique strategy where machine learning models first predict the most probable space groups and crystal densities, filtering out unstable, low-density candidates before ...

Machine learning (ML) is increasingly being utilized to optimize the research paradigm and shorten the time from discovery to application of novel functional materials, pharmaceuticals, and fine ...

This schematic illustrates the MALIO software, a machine learning structure analysis tool designed to analyze and distinguish the local structures of BP I and BP II liquid crystal phases. By ...

The exploration of Haeckelites gained momentum following the experimental synthesis of beryllium oxide (BeO) in this configuration. This achievement sparked interest in the potential of other elements ...