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 ...

“Crystal Math” uses equations—and minimal resources—to rapidly predict the 3D structures of molecular crystals, which could speed up R&D for drugs and electronic devices Researchers at New York ...

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 ...

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 ...

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 ...