Superconductors are materials that conduct electricity with an electrical resistance of zero. Superconductivity is generally observed when materials are cooled down to extremely low temperatures. In ...

In this tutorial, we explore the capabilities of the pymatgen library for computational materials science using Python. We begin by constructing crystal structures such as silicon, sodium chloride, ...

Duplicates of crystal structures are flooding databases, implicating repositories hosting organic, inorganic, and computer-generated crystals. The issue raises questions about curation practices at ...

I was looking at the current folder layout and I think we should move toward a component-based (hexagonal) structure. This would make things way easier to maintain and extend, especially as the ...

SPaDe-CSP first predicts most probable space groups and crystal densities using machine learning and then employs an efficient neural network potential for structure refinement. Prediction of crystal ...

Department of Materials Science and Engineering, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, Pennsylvania 15213, United States Department of Chemistry, Carnegie Mellon University, 5000 ...

The brilliantly shiny diamond is more than just pretty; it's one of the hardest minerals on Earth, with a name derived from the Greek word adámas, meaning unbreakable. Scientists have now engineered a ...

Solidification processes in molten salts are technologically important in contexts including mineral processing and separation applications. However, high temperature and reactivity make studies of ...

From the delicate patterns of snowflakes to the robust structure of diamonds, crystals are all around us. For a long time, scientists believed their growth followed a predictable path. But now, ...