First-principles calculations based on density-functional theory have become an established
theoretical characterization toolkit to understand and predict the structural and functional …

Electron correlation in finite and extended systems is often described in an effective single-
particle framework within the GW approximation. Here, we use the statically screened …

Solving the Bethe-Salpeter equation (BSE) for the optical polarization functions is a first
principles means to model optical properties of materials including excitonic effects. One …

We present a massively parallel GPU-accelerated implementation of the Bethe–Salpeter
equation (BSE) for the calculation of the vertical excitation energies (VEEs) and optical …

As modern massively parallel clusters are getting larger with beefier compute nodes,
traditional parallel eigensolvers, such as direct solvers, struggle keeping the pace with the …

As supercomputers become larger with powerful Graphics Processing Unit (GPU), traditional
direct eigensolvers struggle to keep up with the hardware evolution and scale efficiently due …

The problem of many interacting electrons is hard to solve. Many-body perturbation theory is
a set of techniques to reduce this problem to one of a single electron moving in an effective …