Students learning the crystal structures of solid metals can find it difficult to create a mental model of a three-dimensional arrangement of atoms when looking at a 2 dimensional image from a ...

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 ...

Developing and manufacturing effective, safe, reliable new drugs or critical new materials for use in semiconductors or applications involving dangerous materials requires many layers of knowledge.

BUFFALO, N.Y. — University at Buffalo chemist Jason Benedict and his team spent years developing photoswitchable crystals. Every crystal’s shape is a mirror of the internal arrangement of their ...

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?

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 ...

Being the first element to form, hydrogen holds clues about the distribution of matter in our universe. Normally a gas, hydrogen exists as a solid under ultra-high-pressure conditions commonly found ...

Although occupation of dodecahedral cages by TBAB had not been previously reported, it was found that utilizing dodecahedral cages allows for higher packing density of TBAB. The results were shared in ...

Designed for real-world pharmaceutical development, the ED-1 supports automated, 24/7 operation with streamlined data acquisition and high reproducibility. This transforms MicroED from a specialized, ...