New research led by the University of Liverpool in collaboration with the University of New South Wales (Sydney, Australia) ...

Complex perovskite oxides offer tremendous potential for controlling their rich variety of electronic properties, including high-TC superconductivity, high-κ ferroelectricity, and quantum magnetism.

An implementation is presented of an uncontracted Rys quadrature algorithm for electron repulsion integrals, including up to g functions on graphical processing units (GPUs). The general GPU ...