Gauge-fixing quantum density operators at scale

We provide a theory, algorithms, and simulations of nonequilibrium quantum systems using a one-dimensional (1D) completely positive (CP), matrix-product (MP) density-operator (ρ) representation. By generalizing the matrix product state's orthogonality center, to additionally store positive classical mixture correlations, the MPρ factorization naturally emerges. In this setting, we analytically and numerically examine the virtual gauge freedoms associated with the representation of quantum density operators. Based on this perspective, we simplify algorithms in certain limits to speed up the integration of the canonical-form master-equation dynamics. This enables us to quickly evolve under the dynamics of two-body quantum channels without resorting to optimization-based methods. In addition to this technical advance, we also scale up numerical examples and discuss implications for accurately modeling hardware architectures and predicting their performance in the near term. This includes an example of the quantum to classical transition of informationally leaky, i.e., decohering, qubits. In this setting, because of loss from environmental interactions, nonlocal complex coherence correlations are converted into global incoherent classical statistical mixture correlations. Lastly, the representation of both global and local correlations is discussed. We expect this work to have applications in additional nonequilibrium settings, beyond qubit engineering.