Neo-1 is the first model to unify de novo molecular generation and atomic-level structure prediction in a single model, by generating latent representations of whole molecules instead of predicting ...

Juan Casado Cordón, Professor of Physical Chemistry at the University of Malaga, considers graphene—an infinite layer of carbon atoms—as one of the greatest discoveries of the last 20 years due to its ...

IonQ, a prominent player in the quantum technology sector, has today revealed a breakthrough in quantum chemistry simulations ...