I keep coming back to a strange idea: what if everything we know about quantum physics is already encoded inside a single ...

Harvard researchers bring the accuracy, sample efficiency, and robustness of deep equivariant neural networks to the simulate 44 million atoms. This is achieved through a combination of innovative ...

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 ...

Scientific American is part of Springer Nature, which owns or has commercial relations with thousands of scientific publications (many of them can be found at www ...

• Bimetallic single-atom catalysts (bimSACs) have garnered signifcant attention for leveraging the synergistic functions of the two metal active centers. • This review focuses on the advancements in ...