The concept of aromaticity underpins much of modern organic chemistry, describing the unusual stability and reactivity of cyclic molecules whose π-electrons are delocalised over a planar framework.

Organic chemistry is the study of the structure, properties, composition, reactions, and preparation of carbon-containing compounds. Most organic compounds contain carbon and hydrogen, but they may ...

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 ...