Physicists have finally done what once sounded like science fiction: they have read the X-ray “fingerprint” of a single atom, isolating the signal of one of nature’s smallest building blocks from the ...

A computational model of the more than 26 million atoms in a DNA-packed viral capsid expands our understanding of virus structure and DNA dynamics, insights that could provide new research avenues and ...

A 40-atom gold nanocluster breaks from gold's signature dense packing, forming square atomic planes with a central channel that accelerates electron relaxation about 80x.

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 ...

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 ...