During structure relaxation, these structures are refined to identify the most stable configurations using energy minimization. However, random structure generation often produces several low-density ...

If you rotate an image of a molecular structure, a human can tell the rotated image is still the same molecule, but a machine-learning model might think it is a new data point. In computer science ...

Managing real-time data is crucial for technologies that help computers learn and make decisions, a field known as machine learning. In simple terms, machine learning teaches computers to find ...

A research team of mathematicians and computer scientists has used machine learning to reveal new mathematical structure within the theory of finite groups. By training neural networks to recognise ...