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 ...

‘Crystal structure prediction is, after years of hard work by many, many groups, finally reaching the point where it’s going to have large impacts in organic materials.’ So says Gregory Beran, at the ...

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 ...

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 ...

Instead of always forming building block by building block, scientists are learning that crystals can grow through more complex pathways. Credit: Shihao Zang/NYU Meet “Zangenite,” a hollow crystal ...

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?

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 ...