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 ...

This is because, although formulating the problem of electronic structure is trivial, solving it with reasonable computational resources is known to be exceptionally challenging. The problem is ...

The arrangement of electrons in matter, known as the electronic structure, plays a crucial role in fundamental but also applied research such as drug design and energy storage. However ...

The DFT electronic structure shows Cu2+ in a 3d9 configuration with two extremely flat Cu bands crossing the Fermi energy. This puts Pb9Cu(PO4)6O in an ultra-correlated regime and suggests that, ...

This meeting is for established and early-career scientists and postgraduate working in the area of electronic structure. It will provide an ideal forum to reflect on where the field is, and the grand ...

"This is exciting work that illustrates the powerful synergy between computational chemistry and deep learning, offering fresh ideas for developing more accurate and scalable electronic structure ...