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 ...

Scientists have finally glimpsed chemistry at its smallest level after capturing the first-ever X-ray of a single atom. Atoms are the tiniest particles in our universe, and they're the basic ...

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 ...

What is Atom Probe Tomography? Atom Probe Tomography (APT) is a powerful analytical technique that provides three-dimensional (3D) imaging and chemical composition analysis of materials at the atomic ...

Researchers have determined the atom-by-atom structure of the fermentation enzyme phosphoketolase by cryogenic electron microscopy. They identified details that were mistakenly characterized by X-ray ...