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 ...

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 ...

UB chemist Jason Benedict and his team spent years developing photoswitchable crystals. Every crystal’s shape is a mirror of the internal arrangement of their molecules, but the molecules in ...