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 ...

A research team led by Oak Ridge National Laboratory has developed a new method to uncover the atomic origins of unusual material behavior. This approach uses Bayesian deep learning, a form of ...

WE publish this week, as a special supplement, the substance of an address by Prof. N. Bohr on the development of the theory of atomic structure, and in particular of the latest form and tendencies of ...