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 ...

SPaDe-CSP first predicts most probable space groups and crystal densities using machine learning and then employs an efficient neural network potential for structure refinement. Prediction of crystal ...

This study sheds new light on the stability of random structures. It not only provides tools to predict and prevent collapse, but also shows how imperfect systems can be optimised through a better ...

Graph limit theory provides a rigorous framework for analysing sequences of large graphs by representing them as continuous objects known as graphons – symmetric measurable functions on the unit ...