DAMPyF: a Python implementation of the DAMPF method for the simulation of open-system dynamics

DAMPyF is an open-source Python implementation of the dissipation-assisted matrix product factorization (DAMPF) method, a tensor-network-based approach for the numerically exact simulation of finite-dimensional quantum systems coupled to bosonic environments. The method relies on a pseudomode representation of structured reservoirs and a matrix-product-state representation of the density matrix of the extended system, comprising the system and the pseudomodes. DAMPyF currently provides two workflows. First, it supports excitation energy-transfer dynamics within the single-system-excitation manifold, in which a system excitation is propagated in time. Second, it provides a high-level workflow tailored to molecular spectroscopy, in which the system levels represent electronic states and optical coherences are propagated for the subsequent computation of linear spectra, including absorption and circular dichroism. This paper describes the physical model, the DAMPF algorithm, the user-facing code structure, installation and execution, input and output formats, and minimal examples.