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 ...

Researchers at the Department of Energy's Oak Ridge National Laboratory have developed a machine-learning inspired software package that provides end-to-end image analysis of electron and scanning ...

Machine learning is transforming many scientific fields, including computational materials science. For about two decades, scientists have been using it to make accurate yet inexpensive calculations ...

This is where things get really exciting. Nanomaterials are like tiny delivery trucks and super-powered microscopes for ...

Conventional clustering techniques often focus on basic features like crystal structure and elemental composition, neglecting target properties such as band gaps and dielectric constants. A new study ...