Machine learning (ML) is transforming protein structure prediction. Algorithms can predict 3D structures from amino acid ...
Electron density prediction for a four-million-atom aluminum system using machine learning, deemed to be infeasible using traditional DFT method. × Researchers from Michigan Tech and the University of ...
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 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 ...
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 ...