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 ...

Theoretical physicists use machine-learning algorithms to speed up difficult calculations and eliminate untenable theories—but could they transform what it means to make discoveries? Theoretical ...

Graphs are a ubiquitous data structure and a universal language for representing objects and complex interactions. They can model a wide range of real-world systems, such as social networks, chemical ...