Crystallography-informed AI achieves high performance in predicting novel crystal structures. by Research Organization of Information and Systems ...

A clever method from Caltech researchers now makes it possible to unravel complex electron-lattice interactions, potentially transforming how we understand and design quantum and electronic materials.

These regions of attraction and repulsion represent potential energy surfaces — force fields. Once the force field is known, Szalewicz said, the lattice energy can be calculated by adding up the ...