Qiu notes that conventional methods of calculating the band structure of something with three atoms could take between 100,000 and a million CPU hours. Their VAE-assisted method takes about an hour.

The orbital angular momentum of electrons has long been considered a minor physical phenomenon, suppressed in most crystals and largely overlooked. Scientists have now discovered that in certain ...

Scientists have decoded the electronic structure of water, opening up new perspectives for technological and environmental applications. There is no doubt that water is significant. Without it ...

(a) Schematic of the liquid cell for XAS analysis of metal porphyrin complexes in aqueous solutions. XAS spectra of the central metals were obtained at the Fe or Co L 2,3-edge and those of ligands ...

Electronic structure can be shown as a list of numbers or as a diagram. Take lithium for example. The diagram above shows each shell as a circle around the nucleus, with each of the three ...