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 ...

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 ...

Metalworkers and metallurgists have long appreciated the ability to tailor the performance characteristics of steel (an alloy of iron and carbon), including their strength, hardness, ductility and ...

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 ...

Two 3D ball-and-stick representations of the crystal of the metal-organic material, which has numerous branches and cycles, ...

A research group conducted quantitative individual analysis on the contribution to the strength of the micrometer-scale crystallographic lamellar structures and nanometer-sized cellular structures ...