emphasis on the time-dependent version of DFT (TDDFT). In this paper we present the
ongoing efforts to achieve the parallelization of octopus. We focus on the real-time variant of
TDDFT, where the time-dependent Kohn–Sham equations are directly propagated in time.
This approach has great potential for execution in massively parallel systems such as
modern supercomputers with thousands of processors and graphics processing units …