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 ...

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 ...

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 ...

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 ...

This schematic illustrates the MALIO software, a machine learning structure analysis tool designed to analyze and distinguish the local structures of BP I and BP II liquid crystal phases. By ...

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 ...

Machine learning is a subfield of artificial intelligence, which explores how to computationally simulate (or surpass) humanlike intelligence. While some AI techniques (such as expert systems) use ...