Speeding up calculations that reveal how electrons interact in materials

A team from Caltech has developed a method to speed up calculations of electron interactions in materials by a factor of 50 or more. Using a data-driven approach and singular value decomposition (SVD), they significantly reduce the computational data needed while maintaining accuracy. This breakthrough allows for more efficient computation of material properties, aiding in the development of electronic and quantum devices. The method is being integrated into the Perturbo software for wider use in the scientific community.

For more details, you can read the full article here: