Abstract: X-ray diffraction is a commonly used experimental science to detect the atomic and molecular structure of crystalline material. The process is called X-ray crystallography (XRC).

Researchers develop a machine learning-based workflow for crystal structure prediction of organic molecules Crystal structure prediction (CSP) of organic molecules is a critical task, especially in ...

A neural network promises to improve the fidelity of crystal structure databases for metal–organic frameworks (MOF) by detecting and classifying structural errors. 1 The approach, which flags entries ...

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 ...

Power Electronics, Institute for Sustainable Systems Engineering INATECH, University of Freiburg, Freiburg im Breisgau, Germany YAlN has emerged as a wide band gap semiconductor with high potential to ...

Researchers have devised a mathematical approach to predict the structures of crystals -- a critical step in developing many medicines and electronic devices -- in a matter of hours using only a ...

When scientists study how materials behave under extreme conditions, they typically examine what happens under compression. But what occurs when you pull matter apart in all directions simultaneously?

Chemeleon is a text-guided diffusion model designed for crystal structure generation. The tool allows users to explore and generate crystal structures either through natural language descriptions or ...

The first crystal structure of an alternative DNA shape from the insulin gene has been revealed by a UCL-led research team. DNA is widely accepted to be formed of two strands that wind around one ...

This study investigated the synthesis of α-hemihydrate gypsum (α-HH) through semi-liquid autoclaving of phosphogypsum (PG) using various carboxylic acids as modifying agents. The impact of carboxyl ...

It is hard to coax electrons to form a crystal, and even harder to measure this structure. But physicists have now managed to directly image a “Wigner crystal” – and their images are the clearest ones ...

Calcite crystals showing rhombohedral cleavage. Credit: Siim Sepp. Calcite is a carbonate mineral that forms a significant part of the Earth’s crust. It’s one of the most common types of minerals and ...