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 ...

The arrangement of electrons in matter, known as the electronic structure, plays a crucial role in fundamental but also applied research such as drug design and energy storage. However, the lack of a ...

Machine learning (ML) is transforming protein structure prediction. Algorithms can predict 3D structures from amino acid ...

Discover how a new machine learning method can help scientists predict which MOF structures are good candidates for advanced ...

This research could provide a means to give a deeper insight into the transformation between different structures in a wider variety of materials. This schematic illustrates the MALIO software, a ...

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 ...

Fluid–structure interaction (FSI) governs how flowing water and air interact with marine structures—from wind turbines to ...

If nonliving materials can produce rich, organized mixtures of organic molecules, then the traditional signs we use to ...