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?

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 ...

The Cambridge Crystallographic Data Centre (CCDC) has recently closed the 7th Crystal Structure Prediction (CSP) Blind Test. CSP is the ability to predict, from its 2D molecular structure, the 3D ...

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 ...

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 ...

The new method can determine crystal structures underlying experimental data thus far difficult to analyze. A joint research team led by Yuuki Kubo and Shiji Tsuneyuki of the University of Tokyo has ...