JELLYFISH: a modular code for wave function-based electron dynamics simulations and visualizations on traditional and quantum compute architectures

Ultrafast electron dynamics has made rapid progress in the last few years. With Jellyfish we now introduce a program suite that enable to perform the entire workflow of an electron-dynamics simulation. The modular program architecture offers the flexible combination of different propagators, Hamiltonians, basis sets and more. Jellyfish can be operated by a graphical user interface, which makes it easy to get started for non-specialist users and gives experienced users a clear overview of entire functionality. The temporal evolution of a wave function can currently be executed in the time-dependent configuration interaction method (TDCI) formalism, however, a plugin system facilitates the expansion to other methods and tools without requiring in-depth knowledge of the program. Currently developed plugins allow to include results from conventional electronic structure calculations as well as the usage and extension of quantum-compute algorithms for electron dynamics. We present the capabilities of Jellyfish on two examples to showcase the simulation and analysis of light-driven correlated electron dynamics. The implemented visualization of various densities enables an efficient and detailed analysis for the long-standing quest of the electron-hole pair formation.